1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide

C23H29N3O2 — CID 131905339

IUPAC1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)C2CCCCN2Cc2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c1-18-8-7-11-20(16-18)25-22(27)13-14-24-23(28)21-12-5-6-15-26(21)17-19-9-3-2-4-10-19/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3,(H,24,28)(H,25,27)
InChIKeyQQZIBLZPSLTLCO-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.49
Rot. Bonds7

About 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide

1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide (PubChem CID 131905339) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
PubChem CID131905339
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)C2CCCCN2Cc2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c1-18-8-7-11-20(16-18)25-22(27)13-14-24-23(28)21-12-5-6-15-26(21)17-19-9-3-2-4-10-19/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3,(H,24,28)(H,25,27)
InChIKeyQQZIBLZPSLTLCO-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984604
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
CID 110427724
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
(2S)-1-benzyl-N-[2-methyl-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 131942321

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide (CID 131905339) is 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide is Cc1cccc(NC(=O)CCNC(=O)C2CCCCN2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide?
The InChIKey is QQZIBLZPSLTLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-8-7-11-20(16-18)25-22(27)13-14-24-23(28)21-12-5-6-15-26(21)17-19-9-3-2-4-10-19/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide?
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide is sourced from PubChem (CID 131905339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).