N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide

C23H27N3O3 — CID 131908404

IUPACN-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-7-9-19(10-8-17)23(29)26-15-12-18(13-16-26)22(28)24-14-11-21(27)25-20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyPJVJYWDBPDGWLL-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.99
Rot. Bonds6

About N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide

N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 131908404) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
PubChem CID131908404
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-7-9-19(10-8-17)23(29)26-15-12-18(13-16-26)22(28)24-14-11-21(27)25-20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyPJVJYWDBPDGWLL-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 20972958
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide
CID 124841294
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46387263
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide (CID 131908404) is N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCCC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is PJVJYWDBPDGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-7-9-19(10-8-17)23(29)26-15-12-18(13-16-26)22(28)24-14-11-21(27)25-20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 131908404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).