tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine

C98H171ClN12O4 — CID 159539907

IUPACtert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine
SMILESC=C(NC(C)C)C(C)C.C=C(NC(C)C)C1CCC(C)CC1.C=C(NC(C)C)C1CCCC1.C=C(NC(C)C)C1CCCNC1.C=C(NC(C)C)C1CCN(C)CC1.C=C(NC(C)C)c1ccc(Cl)cc1.C=C(NC(C)C)c1ccccc1.CC(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H26N2O3.C12H23N.C11H14ClN.C11H22N2.C11H15NO.C11H15N.C10H20N2.C10H19N.C8H17N/c1-10(2)15-12(17)11-7-6-8-16(9-11)13(18)19-14(3,4)5;1-9(2)13-11(4)12-7-5-10(3)6-8-12;1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-9(2)12-10(3)11-5-7-13(4)8-6-11;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)12-9(3)10-5-4-6-11-7-10;1-8(2)11-9(3)10-6-4-5-7-10;1-6(2)8(5)9-7(3)4/h10-11H,6-9H2,1-5H3,(H,15,17);9-10,12-13H,4-8H2,1-3H3;4-8,13H,3H2,1-2H3;9,11-12H,3,5-8H2,1-2,4H3;3-7,9H,8H2,1-2H3,(H,12,13);4-9,12H,3H2,1-2H3;8,10-12H,3-7H2,1-2H3;8,10-11H,3-7H2,1-2H3;6-7,9H,5H2,1-4H3
InChIKeyMEBIWHZUNRGSPU-UHFFFAOYSA-N
MW1616.98 g/mol
LogP21.38
Rot. Bonds26

About tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine

tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine (PubChem CID 159539907) has the molecular formula C98H171ClN12O4 and a molecular weight of 1616.98 g/mol. Its IUPAC name is tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine.

Molecular Properties

Compound Nametert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine
PubChem CID159539907
Molecular FormulaC98H171ClN12O4
Molecular Weight1616.98 g/mol
Exact Mass1615.32
IUPAC Nametert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine
SMILESC=C(NC(C)C)C(C)C.C=C(NC(C)C)C1CCC(C)CC1.C=C(NC(C)C)C1CCCC1.C=C(NC(C)C)C1CCCNC1.C=C(NC(C)C)C1CCN(C)CC1.C=C(NC(C)C)c1ccc(Cl)cc1.C=C(NC(C)C)c1ccccc1.CC(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H26N2O3.C12H23N.C11H14ClN.C11H22N2.C11H15NO.C11H15N.C10H20N2.C10H19N.C8H17N/c1-10(2)15-12(17)11-7-6-8-16(9-11)13(18)19-14(3,4)5;1-9(2)13-11(4)12-7-5-10(3)6-8-12;1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-9(2)12-10(3)11-5-7-13(4)8-6-11;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)12-9(3)10-5-4-6-11-7-10;1-8(2)11-9(3)10-6-4-5-7-10;1-6(2)8(5)9-7(3)4/h10-11H,6-9H2,1-5H3,(H,15,17);9-10,12-13H,4-8H2,1-3H3;4-8,13H,3H2,1-2H3;9,11-12H,3,5-8H2,1-2,4H3;3-7,9H,8H2,1-2H3,(H,12,13);4-9,12H,3H2,1-2H3;8,10-12H,3-7H2,1-2H3;8,10-11H,3-7H2,1-2H3;6-7,9H,5H2,1-4H3
InChIKeyMEBIWHZUNRGSPU-UHFFFAOYSA-N
XLogP21.38
TPSA187.22 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001616.98
LogP ≤ 521.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine with MolForge

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Related Compounds

tert-butyl 3-(tert-butylcarbamoyl)piperidine-1-carboxylate;N-tert-butyl-4-chlorobenzamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-tert-butyl-1-methylpiperidine-4-carboxamide;N-tert-butyl-2-phenylacetamide;N-(1-cyclopentylethenyl)-2-methylpropan-2-amine;2-methyl-N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;2-methyl-N-(1-phenylethenyl)propan-2-amine;2-methyl-N-(1-piperidin-3-ylethenyl)propan-2-amine
CID 160644330
N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide
CID 159834640
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3S)-piperidine-3-carboxylic acid
CID 167543627
benzyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl (3R)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 159336340
tert-butyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 45280915
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367
tert-butyl 3-(benzoylcarbamoyl)pyrrolidine-1-carboxylate
CID 169094514
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 60607238
tert-butyl 3-[[1-ethoxy-3-(4-methylphenyl)-1,3-dioxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 122489316
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine?
The IUPAC name of tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine (CID 159539907) is tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine.
What is the SMILES notation for tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine?
The canonical SMILES for tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine is C=C(NC(C)C)C(C)C.C=C(NC(C)C)C1CCC(C)CC1.C=C(NC(C)C)C1CCCC1.C=C(NC(C)C)C1CCCNC1.C=C(NC(C)C)C1CCN(C)CC1.C=C(NC(C)C)c1ccc(Cl)cc1.C=C(NC(C)C)c1ccccc1.CC(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)NC(=O)Cc1ccccc1.
What is the InChIKey of tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine?
The InChIKey is MEBIWHZUNRGSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.C12H23N.C11H14ClN.C11H22N2.C11H15NO.C11H15N.C10H20N2.C10H19N.C8H17N/c1-10(2)15-12(17)11-7-6-8-16(9-11)13(18)19-14(3,4)5;1-9(2)13-11(4)12-7-5-10(3)6-8-12;1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-9(2)12-10(3)11-5-7-13(4)8-6-11;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)12-9(3)10-5-4-6-11-7-10;1-8(2)11-9(3)10-6-4-5-7-10;1-6(2)8(5)9-7(3)4/h10-11H,6-9H2,1-5H3,(H,15,17);9-10,12-13H,4-8H2,1-3H3;4-8,13H,3H2,1-2H3;9,11-12H,3,5-8H2,1-2,4H3;3-7,9H,8H2,1-2H3,(H,12,13);4-9,12H,3H2,1-2H3;8,10-12H,3-7H2,1-2H3;8,10-11H,3-7H2,1-2H3;6-7,9H,5H2,1-4H3.
What are the key properties of tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine?
tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine has a molecular weight of 1616.98 g/mol, XLogP of 21.38, 26 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate;N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;N-(1-cyclopentylethenyl)propan-2-amine;N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine;N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N-(1-phenylethenyl)propan-2-amine;2-phenyl-N-propan-2-ylacetamide;N-(1-piperidin-3-ylethenyl)propan-2-amine is sourced from PubChem (CID 159539907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).