N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide

C20H29N3O3 — CID 46103996

IUPACN-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-3-9-18(24)23-14-10-17(11-15-23)20(26)22-13-12-21-19(25)16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyNGMSNPYWAWRXGQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.96
Rot. Bonds8

About N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide

N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide (PubChem CID 46103996) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
PubChem CID46103996
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-3-9-18(24)23-14-10-17(11-15-23)20(26)22-13-12-21-19(25)16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyNGMSNPYWAWRXGQ-UHFFFAOYSA-N
XLogP1.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.96
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

1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
2-[3-[4-(butylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 120691836
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide (CID 46103996) is N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide is CCCCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide?
The InChIKey is NGMSNPYWAWRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-3-9-18(24)23-14-10-17(11-15-23)20(26)22-13-12-21-19(25)16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide?
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide is sourced from PubChem (CID 46103996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).