(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C23H29N3O2 — CID 42538408

IUPAC(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-10-12-19(13-11-18)15-25(2)22(27)17-26-14-6-7-20(16-26)23(28)24-21-8-4-3-5-9-21/h3-5,8-13,20H,6-7,14-17H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyMWBMSVDVVAMTMO-HXUWFJFHSA-N
MW379.50 g/mol
LogP3.30
Rot. Bonds6

About (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 42538408) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID42538408
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-10-12-19(13-11-18)15-25(2)22(27)17-26-14-6-7-20(16-26)23(28)24-21-8-4-3-5-9-21/h3-5,8-13,20H,6-7,14-17H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyMWBMSVDVVAMTMO-HXUWFJFHSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538132
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
N-(2-aminoethyl)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119916928
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 114681230
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 78829146

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 42538408) is (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is Cc1ccc(CN(C)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is MWBMSVDVVAMTMO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-10-12-19(13-11-18)15-25(2)22(27)17-26-14-6-7-20(16-26)23(28)24-21-8-4-3-5-9-21/h3-5,8-13,20H,6-7,14-17H2,1-2H3,(H,24,28)/t20-/m1/s1.
What are the key properties of (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42538408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).