3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C24H29N3O2 — CID 55982371

IUPAC3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H29N3O2/c1-18-9-5-6-13-21(18)22-14-8-16-27(22)23(28)19-10-7-15-26(17-19)24(29)25-20-11-3-2-4-12-20/h2-6,9,11-13,19,22H,7-8,10,14-17H2,1H3,(H,25,29)
InChIKeyZPXMPWVCEZQFFY-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.60
Rot. Bonds3

About 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 55982371) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID55982371
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H29N3O2/c1-18-9-5-6-13-21(18)22-14-8-16-27(22)23(28)19-10-7-15-26(17-19)24(29)25-20-11-3-2-4-12-20/h2-6,9,11-13,19,22H,7-8,10,14-17H2,1H3,(H,25,29)
InChIKeyZPXMPWVCEZQFFY-UHFFFAOYSA-N
XLogP4.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-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

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 119632537
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3S)-3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 100899129
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 55836469

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 55982371) is 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is Cc1ccccc1C1CCCN1C(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZPXMPWVCEZQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-9-5-6-13-21(18)22-14-8-16-27(22)23(28)19-10-7-15-26(17-19)24(29)25-20-11-3-2-4-12-20/h2-6,9,11-13,19,22H,7-8,10,14-17H2,1H3,(H,25,29).
What are the key properties of 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 55982371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).