butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate

C103H166N8O24 — CID 159462915

IUPACbutyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OC(C)C)CC1.C=CC(=O)N1CCC(C(=O)OC)CC1.C=CC(=O)N1CCC(C(=O)OCC(C)C)CC1.C=CC(=O)N1CCC(C(=O)OCC(CC)CCCC)CC1.C=CC(=O)N1CCC(C(=O)OCC)CC1.C=CC(=O)N1CCC(C(=O)OCCC)CC1.C=CC(=O)N1CCC(C(=O)OCCCC)CC1.C=CC(=O)N1CCC(C(=O)OCCCCCC)CC1
InChIInChI=1S/C17H29NO3.C15H25NO3.2C13H21NO3.2C12H19NO3.C11H17NO3.C10H15NO3/c1-4-7-8-14(5-2)13-21-17(20)15-9-11-18(12-10-15)16(19)6-3;1-3-5-6-7-12-19-15(18)13-8-10-16(11-9-13)14(17)4-2;1-4-12(15)14-7-5-11(6-8-14)13(16)17-9-10(2)3;1-3-5-10-17-13(16)11-6-8-14(9-7-11)12(15)4-2;1-4-11(14)13-7-5-10(6-8-13)12(15)16-9(2)3;1-3-9-16-12(15)10-5-7-13(8-6-10)11(14)4-2;1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2;1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h6,14-15H,3-5,7-13H2,1-2H3;4,13H,2-3,5-12H2,1H3;4,10-11H,1,5-9H2,2-3H3;4,11H,2-3,5-10H2,1H3;4,9-10H,1,5-8H2,2-3H3;4,10H,2-3,5-9H2,1H3;3,9H,1,4-8H2,2H3;3,8H,1,4-7H2,2H3
InChIKeyLUUVVSUBDWBJIZ-UHFFFAOYSA-N
MW1900.49 g/mol
LogP13.35
Rot. Bonds36

About butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate

butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate (PubChem CID 159462915) has the molecular formula C103H166N8O24 and a molecular weight of 1900.49 g/mol. Its IUPAC name is butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate
PubChem CID159462915
Molecular FormulaC103H166N8O24
Molecular Weight1900.49 g/mol
Exact Mass1899.20
IUPAC Namebutyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OC(C)C)CC1.C=CC(=O)N1CCC(C(=O)OC)CC1.C=CC(=O)N1CCC(C(=O)OCC(C)C)CC1.C=CC(=O)N1CCC(C(=O)OCC(CC)CCCC)CC1.C=CC(=O)N1CCC(C(=O)OCC)CC1.C=CC(=O)N1CCC(C(=O)OCCC)CC1.C=CC(=O)N1CCC(C(=O)OCCCC)CC1.C=CC(=O)N1CCC(C(=O)OCCCCCC)CC1
InChIInChI=1S/C17H29NO3.C15H25NO3.2C13H21NO3.2C12H19NO3.C11H17NO3.C10H15NO3/c1-4-7-8-14(5-2)13-21-17(20)15-9-11-18(12-10-15)16(19)6-3;1-3-5-6-7-12-19-15(18)13-8-10-16(11-9-13)14(17)4-2;1-4-12(15)14-7-5-11(6-8-14)13(16)17-9-10(2)3;1-3-5-10-17-13(16)11-6-8-14(9-7-11)12(15)4-2;1-4-11(14)13-7-5-10(6-8-13)12(15)16-9(2)3;1-3-9-16-12(15)10-5-7-13(8-6-10)11(14)4-2;1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2;1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h6,14-15H,3-5,7-13H2,1-2H3;4,13H,2-3,5-12H2,1H3;4,10-11H,1,5-9H2,2-3H3;4,11H,2-3,5-10H2,1H3;4,9-10H,1,5-8H2,2-3H3;4,10H,2-3,5-9H2,1H3;3,9H,1,4-8H2,2H3;3,8H,1,4-7H2,2H3
InChIKeyLUUVVSUBDWBJIZ-UHFFFAOYSA-N
XLogP13.35
TPSA372.88 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.49
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

nonyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 91738806
1-O-(2-ethylhexyl) 4-O-propan-2-yl cyclohexane-1,4-dicarboxylate
CID 66984605
butyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;2-ethylhexyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;ethyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;hexyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;methyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;2-methylpropyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;propan-2-yl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate;propyl 3-[propan-2-yl(prop-2-enoyl)amino]propanoate
CID 159900932
butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 161029299
4-O-propan-2-yl 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 90870155
4-O-propan-2-yl 1-O-tridecyl cyclohexane-1,4-dicarboxylate
CID 91412233
1-O-(2-ethylhexyl) 3-O-hexyl cyclohexane-1,3-dicarboxylate
CID 66984438
4-O-(2-ethylhexyl) 1-O-(2-methylpropyl) 1-prop-2-enoyloxycyclohexane-1,4-dicarboxylate
CID 174499423
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
butyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;butyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate;2-ethylhexyl 1-ethyl-5-oxopyrrolidine-3-carboxylate;methyl 5-oxo-1-pentylpyrrolidine-3-carboxylate;octyl 5-oxo-1-pentylpyrrolidine-3-carboxylate
CID 159579815
butyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;dodecyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;hexadecyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;hexyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;3-methylbutyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;4-methylpentan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-methylpropyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;octyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;propan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;propyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;tetradecyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 157476010

Frequently Asked Questions

What is the IUPAC name of butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate?
The IUPAC name of butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate (CID 159462915) is butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate is C=CC(=O)N1CCC(C(=O)OC(C)C)CC1.C=CC(=O)N1CCC(C(=O)OC)CC1.C=CC(=O)N1CCC(C(=O)OCC(C)C)CC1.C=CC(=O)N1CCC(C(=O)OCC(CC)CCCC)CC1.C=CC(=O)N1CCC(C(=O)OCC)CC1.C=CC(=O)N1CCC(C(=O)OCCC)CC1.C=CC(=O)N1CCC(C(=O)OCCCC)CC1.C=CC(=O)N1CCC(C(=O)OCCCCCC)CC1.
What is the InChIKey of butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate?
The InChIKey is LUUVVSUBDWBJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3.C15H25NO3.2C13H21NO3.2C12H19NO3.C11H17NO3.C10H15NO3/c1-4-7-8-14(5-2)13-21-17(20)15-9-11-18(12-10-15)16(19)6-3;1-3-5-6-7-12-19-15(18)13-8-10-16(11-9-13)14(17)4-2;1-4-12(15)14-7-5-11(6-8-14)13(16)17-9-10(2)3;1-3-5-10-17-13(16)11-6-8-14(9-7-11)12(15)4-2;1-4-11(14)13-7-5-10(6-8-13)12(15)16-9(2)3;1-3-9-16-12(15)10-5-7-13(8-6-10)11(14)4-2;1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2;1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h6,14-15H,3-5,7-13H2,1-2H3;4,13H,2-3,5-12H2,1H3;4,10-11H,1,5-9H2,2-3H3;4,11H,2-3,5-10H2,1H3;4,9-10H,1,5-8H2,2-3H3;4,10H,2-3,5-9H2,1H3;3,9H,1,4-8H2,2H3;3,8H,1,4-7H2,2H3.
What are the key properties of butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate?
butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate has a molecular weight of 1900.49 g/mol, XLogP of 13.35, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-prop-2-enoylpiperidine-4-carboxylate;2-ethylhexyl 1-prop-2-enoylpiperidine-4-carboxylate;ethyl 1-prop-2-enoylpiperidine-4-carboxylate;hexyl 1-prop-2-enoylpiperidine-4-carboxylate;methyl 1-prop-2-enoylpiperidine-4-carboxylate;2-methylpropyl 1-prop-2-enoylpiperidine-4-carboxylate;propan-2-yl 1-prop-2-enoylpiperidine-4-carboxylate;propyl 1-prop-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 159462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).