N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide

C18H25N3O3 — CID 47049072

IUPACN-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-2-16(22)21-12-6-9-15(13-21)18(24)20-11-10-19-17(23)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)(H,20,24)
InChIKeyFENFPJNNCZMSRF-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.18
Rot. Bonds6

About N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide

N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 47049072) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
PubChem CID47049072
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-2-16(22)21-12-6-9-15(13-21)18(24)20-11-10-19-17(23)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)(H,20,24)
InChIKeyFENFPJNNCZMSRF-UHFFFAOYSA-N
XLogP1.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.18
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-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide (CID 47049072) is N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCCNC(=O)c2ccccc2)C1.
What is the InChIKey of N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is FENFPJNNCZMSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-16(22)21-12-6-9-15(13-21)18(24)20-11-10-19-17(23)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide?
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 47049072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).