[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C23H27N3O2 — CID 126429371

IUPAC[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)cc2)ccn1
InChIInChI=1S/C23H27N3O2/c1-17-15-20(10-11-24-17)18-6-8-19(9-7-18)22(27)26-14-4-5-21(16-26)23(28)25-12-2-3-13-25/h6-11,15,21H,2-5,12-14,16H2,1H3/t21-/m1/s1
InChIKeyKYACNPUOADNKNW-OAQYLSRUSA-N
MW377.49 g/mol
LogP3.53
Rot. Bonds3

About [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 126429371) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID126429371
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)cc2)ccn1
InChIInChI=1S/C23H27N3O2/c1-17-15-20(10-11-24-17)18-6-8-19(9-7-18)22(27)26-14-4-5-21(16-26)23(28)25-12-2-3-13-25/h6-11,15,21H,2-5,12-14,16H2,1H3/t21-/m1/s1
InChIKeyKYACNPUOADNKNW-OAQYLSRUSA-N
XLogP3.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-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

(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 126429371) is [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1cc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)cc2)ccn1.
What is the InChIKey of [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KYACNPUOADNKNW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-15-20(10-11-24-17)18-6-8-19(9-7-18)22(27)26-14-4-5-21(16-26)23(28)25-12-2-3-13-25/h6-11,15,21H,2-5,12-14,16H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 377.49 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 126429371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).