(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide

C22H26N2O2 — CID 1332847

IUPAC(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c1-16-11-12-20(19(15-16)21(25)18-9-5-3-6-10-18)23-22(26)17(2)24-13-7-4-8-14-24/h3,5-6,9-12,15,17H,4,7-8,13-14H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyDWXPGCCIRBUDOQ-KRWDZBQOSA-N
MW350.46 g/mol
LogP4.04
Rot. Bonds5

About (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide

(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide (PubChem CID 1332847) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
PubChem CID1332847
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c1-16-11-12-20(19(15-16)21(25)18-9-5-3-6-10-18)23-22(26)17(2)24-13-7-4-8-14-24/h3,5-6,9-12,15,17H,4,7-8,13-14H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyDWXPGCCIRBUDOQ-KRWDZBQOSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-benzoyl-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 6551381
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
N-(2-benzoylphenyl)-2-morpholin-4-ylpropanamide
CID 17461516
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
(2R)-N-[2-(4-methylbenzoyl)phenyl]-2-morpholin-4-ylpropanamide
CID 97426909
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133594
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide?
The IUPAC name of (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide (CID 1332847) is (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide is Cc1ccc(NC(=O)[C@H](C)N2CCCCC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide?
The InChIKey is DWXPGCCIRBUDOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-11-12-20(19(15-16)21(25)18-9-5-3-6-10-18)23-22(26)17(2)24-13-7-4-8-14-24/h3,5-6,9-12,15,17H,4,7-8,13-14H2,1-2H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide?
(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 1332847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).