[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone

C20H28N2O2 — CID 164629456

IUPAC[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC[C@H](O)[C@@H](C3CCCC3)C2)c(C2CC2)n1
InChIInChI=1S/C20H28N2O2/c1-13-6-9-16(19(21-13)15-7-8-15)20(24)22-11-10-18(23)17(12-22)14-4-2-3-5-14/h6,9,14-15,17-18,23H,2-5,7-8,10-12H2,1H3/t17-,18+/m1/s1
InChIKeySULIWFVDJVPIGY-MSOLQXFVSA-N
MW328.46 g/mol
LogP3.28
Rot. Bonds3

About [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone

[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone (PubChem CID 164629456) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
PubChem CID164629456
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC[C@H](O)[C@@H](C3CCCC3)C2)c(C2CC2)n1
InChIInChI=1S/C20H28N2O2/c1-13-6-9-16(19(21-13)15-7-8-15)20(24)22-11-10-18(23)17(12-22)14-4-2-3-5-14/h6,9,14-15,17-18,23H,2-5,7-8,10-12H2,1H3/t17-,18+/m1/s1
InChIKeySULIWFVDJVPIGY-MSOLQXFVSA-N
XLogP3.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone (CID 164629456) is [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](C3CCCC3)C2)c(C2CC2)n1.
What is the InChIKey of [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone?
The InChIKey is SULIWFVDJVPIGY-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-6-9-16(19(21-13)15-7-8-15)20(24)22-11-10-18(23)17(12-22)14-4-2-3-5-14/h6,9,14-15,17-18,23H,2-5,7-8,10-12H2,1H3/t17-,18+/m1/s1.
What are the key properties of [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone?
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone has a molecular weight of 328.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 164629456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).