N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide

C24H30N2O2 — CID 55865034

IUPACN-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
SMILESCc1ccc(C(=O)C2CCN(C(C)C(=O)Nc3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-16-6-9-20(10-7-16)23(27)21-11-13-26(14-12-21)19(4)24(28)25-22-15-17(2)5-8-18(22)3/h5-10,15,19,21H,11-14H2,1-4H3,(H,25,28)
InChIKeyDKNUYLHOXMPIBW-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.53
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide

N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide (PubChem CID 55865034) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
PubChem CID55865034
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
SMILESCc1ccc(C(=O)C2CCN(C(C)C(=O)Nc3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-16-6-9-20(10-7-16)23(27)21-11-13-26(14-12-21)19(4)24(28)25-22-15-17(2)5-8-18(22)3/h5-10,15,19,21H,11-14H2,1-4H3,(H,25,28)
InChIKeyDKNUYLHOXMPIBW-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110020032
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
N-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880134
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-N-ethylpiperazine-1-carboxamide
CID 95320635

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide (CID 55865034) is N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide is Cc1ccc(C(=O)C2CCN(C(C)C(=O)Nc3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
The InChIKey is DKNUYLHOXMPIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-16-6-9-20(10-7-16)23(27)21-11-13-26(14-12-21)19(4)24(28)25-22-15-17(2)5-8-18(22)3/h5-10,15,19,21H,11-14H2,1-4H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide has a molecular weight of 378.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 55865034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).