4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide

C23H29N3O2 — CID 51324491

IUPAC4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-9-19(18(2)16-17)10-11-22(27)24-21-12-14-26(15-13-21)23(28)25-20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBNVJHOWHXPKZSU-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.05
Rot. Bonds5

About 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide

4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide (PubChem CID 51324491) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
PubChem CID51324491
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-9-19(18(2)16-17)10-11-22(27)24-21-12-14-26(15-13-21)23(28)25-20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBNVJHOWHXPKZSU-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575452
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 77091525
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 95631970
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502240
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide (CID 51324491) is 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide is Cc1ccc(CCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is BNVJHOWHXPKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-9-19(18(2)16-17)10-11-22(27)24-21-12-14-26(15-13-21)23(28)25-20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 51324491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).