1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide

C17H23N3O3 — CID 42878771

IUPAC1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-13(21)20-11-7-15(8-12-20)17(23)19-10-9-18-16(22)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyKULLEVUNZUANIE-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.79
Rot. Bonds5

About 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide

1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide (PubChem CID 42878771) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
PubChem CID42878771
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c1-13(21)20-11-7-15(8-12-20)17(23)19-10-9-18-16(22)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyKULLEVUNZUANIE-UHFFFAOYSA-N
XLogP0.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55963689
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide (CID 42878771) is 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide?
The InChIKey is KULLEVUNZUANIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)20-11-7-15(8-12-20)17(23)19-10-9-18-16(22)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide?
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42878771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).