N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide

C24H30N2O2 — CID 113005476

IUPACN-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18(2)26(17-20-9-5-4-6-10-20)24(28)21-12-14-25(15-13-21)23(27)22-11-7-8-19(3)16-22/h4-11,16,18,21H,12-15,17H2,1-3H3
InChIKeyKWWHEDSNERZYRF-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.28
Rot. Bonds5

About N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide

N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 113005476) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID113005476
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18(2)26(17-20-9-5-4-6-10-20)24(28)21-12-14-25(15-13-21)23(27)22-11-7-8-19(3)16-22/h4-11,16,18,21H,12-15,17H2,1-3H3
InChIKeyKWWHEDSNERZYRF-UHFFFAOYSA-N
XLogP4.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 51323600
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55430061
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 109147520
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
N-benzyl-1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693664
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 113005476) is N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)c1.
What is the InChIKey of N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is KWWHEDSNERZYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(2)26(17-20-9-5-4-6-10-20)24(28)21-12-14-25(15-13-21)23(27)22-11-7-8-19(3)16-22/h4-11,16,18,21H,12-15,17H2,1-3H3.
What are the key properties of N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 113005476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).