1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide

C24H31N3O2 — CID 39938111

IUPAC1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-2-3-9-16-25-23(28)19-14-17-27(18-15-19)24(29)21-12-7-8-13-22(21)26-20-10-5-4-6-11-20/h4-8,10-13,19,26H,2-3,9,14-18H2,1H3,(H,25,28)
InChIKeyKQDKYIQWDISLIU-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.59
Rot. Bonds8

About 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide

1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 39938111) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
PubChem CID39938111
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-2-3-9-16-25-23(28)19-14-17-27(18-15-19)24(29)21-12-7-8-13-22(21)26-20-10-5-4-6-11-20/h4-8,10-13,19,26H,2-3,9,14-18H2,1H3,(H,25,28)
InChIKeyKQDKYIQWDISLIU-UHFFFAOYSA-N
XLogP4.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.59
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-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
CID 55718193
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 39938186
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56586390
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide (CID 39938111) is 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.
What is the InChIKey of 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is KQDKYIQWDISLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-3-9-16-25-23(28)19-14-17-27(18-15-19)24(29)21-12-7-8-13-22(21)26-20-10-5-4-6-11-20/h4-8,10-13,19,26H,2-3,9,14-18H2,1H3,(H,25,28).
What are the key properties of 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide?
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 39938111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).