acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide

C63H119ClF3N7O11 — CID 158005463

IUPACacetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide
SMILESCC.CC(=O)Cl.CCC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CCC(C1CCN(C(=O)OC(C)(C)C)CC1)N(CC)C(C)=O.CCC(C1CCNCC1)N(CC)C(C)=O.CCNC(CC)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C(=O)C(F)(F)F
InChIInChI=1S/C17H32N2O3.C15H30N2O2.C13H23NO3.C12H24N2O.C2H3ClO.C2HF3O.C2H6/c1-7-15(19(8-2)13(3)20)14-9-11-18(12-10-14)16(21)22-17(4,5)6;1-6-13(16-7-2)12-8-10-17(11-9-12)14(18)19-15(3,4)5;1-5-11(15)10-6-8-14(9-7-10)12(16)17-13(2,3)4;1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;1-2(3)4;3-2(4,5)1-6;1-2/h14-15H,7-12H2,1-6H3;12-13,16H,6-11H2,1-5H3;10H,5-9H2,1-4H3;11-13H,4-9H2,1-3H3;1H3;1H;1-2H3/i;;;;;1D;
InChIKeyFEFWJYSJDFMFDB-OGKIIUBNSA-N
MW1244.14 g/mol
LogP13.09
Rot. Bonds14

About acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide

acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide (PubChem CID 158005463) has the molecular formula C63H119ClF3N7O11 and a molecular weight of 1244.14 g/mol. Its IUPAC name is acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide.

Molecular Properties

Compound Nameacetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide
PubChem CID158005463
Molecular FormulaC63H119ClF3N7O11
Molecular Weight1244.14 g/mol
Exact Mass1242.87
IUPAC Nameacetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide
SMILESCC.CC(=O)Cl.CCC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CCC(C1CCN(C(=O)OC(C)(C)C)CC1)N(CC)C(C)=O.CCC(C1CCNCC1)N(CC)C(C)=O.CCNC(CC)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C(=O)C(F)(F)F
InChIInChI=1S/C17H32N2O3.C15H30N2O2.C13H23NO3.C12H24N2O.C2H3ClO.C2HF3O.C2H6/c1-7-15(19(8-2)13(3)20)14-9-11-18(12-10-14)16(21)22-17(4,5)6;1-6-13(16-7-2)12-8-10-17(11-9-12)14(18)19-15(3,4)5;1-5-11(15)10-6-8-14(9-7-10)12(16)17-13(2,3)4;1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;1-2(3)4;3-2(4,5)1-6;1-2/h14-15H,7-12H2,1-6H3;12-13,16H,6-11H2,1-5H3;10H,5-9H2,1-4H3;11-13H,4-9H2,1-3H3;1H3;1H;1-2H3/i;;;;;1D;
InChIKeyFEFWJYSJDFMFDB-OGKIIUBNSA-N
XLogP13.09
TPSA204.51 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001244.14
LogP ≤ 513.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide with MolForge

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Related Compounds

acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 158700514
acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide
CID 161839330
acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide
CID 160356816

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide?
The IUPAC name of acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide (CID 158005463) is acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide.
What is the SMILES notation for acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide?
The canonical SMILES for acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide is CC.CC(=O)Cl.CCC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CCC(C1CCN(C(=O)OC(C)(C)C)CC1)N(CC)C(C)=O.CCC(C1CCNCC1)N(CC)C(C)=O.CCNC(CC)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C(=O)C(F)(F)F.
What is the InChIKey of acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide?
The InChIKey is FEFWJYSJDFMFDB-OGKIIUBNSA-N. The full InChI is InChI=1S/C17H32N2O3.C15H30N2O2.C13H23NO3.C12H24N2O.C2H3ClO.C2HF3O.C2H6/c1-7-15(19(8-2)13(3)20)14-9-11-18(12-10-14)16(21)22-17(4,5)6;1-6-13(16-7-2)12-8-10-17(11-9-12)14(18)19-15(3,4)5;1-5-11(15)10-6-8-14(9-7-10)12(16)17-13(2,3)4;1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;1-2(3)4;3-2(4,5)1-6;1-2/h14-15H,7-12H2,1-6H3;12-13,16H,6-11H2,1-5H3;10H,5-9H2,1-4H3;11-13H,4-9H2,1-3H3;1H3;1H;1-2H3/i;;;;;1D;.
What are the key properties of acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide?
acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide has a molecular weight of 1244.14 g/mol, XLogP of 13.09, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;tert-butyl 4-[1-[acetyl(ethyl)amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[1-(ethylamino)propyl]piperidine-1-carboxylate;tert-butyl 4-propanoylpiperidine-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide is sourced from PubChem (CID 158005463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).