(3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol

C15H25N3O2 — CID 72855191

IUPAC(3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol
SMILESC[C@@]1(O)CCN(Cc2cncn2C2CCCC2)C[C@@H]1O
InChIInChI=1S/C15H25N3O2/c1-15(20)6-7-17(10-14(15)19)9-13-8-16-11-18(13)12-4-2-3-5-12/h8,11-12,14,19-20H,2-7,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyPJBLINDHXDILEX-LSDHHAIUSA-N
MW279.38 g/mol
LogP1.32
Rot. Bonds3

About (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol

(3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol (PubChem CID 72855191) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol
PubChem CID72855191
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol
SMILESC[C@@]1(O)CCN(Cc2cncn2C2CCCC2)C[C@@H]1O
InChIInChI=1S/C15H25N3O2/c1-15(20)6-7-17(10-14(15)19)9-13-8-16-11-18(13)12-4-2-3-5-12/h8,11-12,14,19-20H,2-7,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyPJBLINDHXDILEX-LSDHHAIUSA-N
XLogP1.32
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol 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,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol?
The IUPAC name of (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol (CID 72855191) is (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol is C[C@@]1(O)CCN(Cc2cncn2C2CCCC2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol?
The InChIKey is PJBLINDHXDILEX-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(20)6-7-17(10-14(15)19)9-13-8-16-11-18(13)12-4-2-3-5-12/h8,11-12,14,19-20H,2-7,9-10H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol?
(3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol has a molecular weight of 279.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(3-cyclopentylimidazol-4-yl)methyl]-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 72855191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).