[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

C25H30N2O3 — CID 93148899

IUPAC[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H30N2O3/c1-18-6-8-20(9-7-18)24(28)27-16-22(19-10-12-21(30-2)13-11-19)23(17-27)25(29)26-14-4-3-5-15-26/h6-13,22-23H,3-5,14-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyCWOQAIUAHVCXAM-GOTSBHOMSA-N
MW406.53 g/mol
LogP3.87
Rot. Bonds4

About [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 93148899) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID93148899
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H30N2O3/c1-18-6-8-20(9-7-18)24(28)27-16-22(19-10-12-21(30-2)13-11-19)23(17-27)25(29)26-14-4-3-5-15-26/h6-13,22-23H,3-5,14-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyCWOQAIUAHVCXAM-GOTSBHOMSA-N
XLogP3.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone 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,4R)-1-(3-methoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93148856
[(3R,4R)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93149747
[(3S,4R)-1-(4-fluorobenzoyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93151591
[(3S,4S)-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93154383
[3-(4-methoxyphenyl)azepan-1-yl]-(4-methylphenyl)methanone
CID 121146944
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42680496
(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 42680169
[1-(4-fluorobenzoyl)-4-(4-methylphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42680503
[1-benzoyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42681551
[(3S,4S)-1-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154886
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[1-(4-methylbenzoyl)-4-phenylpyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42825811

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (CID 93148899) is [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is COc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is CWOQAIUAHVCXAM-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-6-8-20(9-7-18)24(28)27-16-22(19-10-12-21(30-2)13-11-19)23(17-27)25(29)26-14-4-3-5-15-26/h6-13,22-23H,3-5,14-17H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 406.53 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 93148899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).