[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C22H27N3O2 — CID 95224033

IUPAC[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccccc1[C@@]1(O)CCN(C2CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C22H27N3O2/c1-17-4-2-3-5-20(17)22(27)10-15-25(16-22)19-8-13-24(14-9-19)21(26)18-6-11-23-12-7-18/h2-7,11-12,19,27H,8-10,13-16H2,1H3/t22-/m1/s1
InChIKeyIJCLZDNACXIXCF-JOCHJYFZSA-N
MW365.48 g/mol
LogP2.59
Rot. Bonds3

About [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95224033) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95224033
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccccc1[C@@]1(O)CCN(C2CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C22H27N3O2/c1-17-4-2-3-5-20(17)22(27)10-15-25(16-22)19-8-13-24(14-9-19)21(26)18-6-11-23-12-7-18/h2-7,11-12,19,27H,8-10,13-16H2,1H3/t22-/m1/s1
InChIKeyIJCLZDNACXIXCF-JOCHJYFZSA-N
XLogP2.59
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-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

1-[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95136716
[4-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 72849329
2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 176502258
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 16672954
[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116874
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 135108285
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
CID 62975984
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131908612
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72881128
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493

Frequently Asked Questions

What is the IUPAC name of [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 95224033) is [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1ccccc1[C@@]1(O)CCN(C2CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is IJCLZDNACXIXCF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-4-2-3-5-20(17)22(27)10-15-25(16-22)19-8-13-24(14-9-19)21(26)18-6-11-23-12-7-18/h2-7,11-12,19,27H,8-10,13-16H2,1H3/t22-/m1/s1.
What are the key properties of [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95224033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).