(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine

C21H29FN4 — CID 156886845

IUPAC(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine
SMILESCc1nccn1C(c1cccc(F)c1)(C1CCNCC1)C1CCC[C@@H]1N
InChIInChI=1S/C21H29FN4/c1-15-25-12-13-26(15)21(16-8-10-24-11-9-16,19-6-3-7-20(19)23)17-4-2-5-18(22)14-17/h2,4-5,12-14,16,19-20,24H,3,6-11,23H2,1H3/t19?,20-,21?/m0/s1
InChIKeyOYRPWCKTQZRRFP-KBWCOIMZSA-N
MW356.49 g/mol
LogP3.20
Rot. Bonds4

About (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine

(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine (PubChem CID 156886845) has the molecular formula C21H29FN4 and a molecular weight of 356.49 g/mol. Its IUPAC name is (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine
PubChem CID156886845
Molecular FormulaC21H29FN4
Molecular Weight356.49 g/mol
Exact Mass356.24
IUPAC Name(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine
SMILESCc1nccn1C(c1cccc(F)c1)(C1CCNCC1)C1CCC[C@@H]1N
InChIInChI=1S/C21H29FN4/c1-15-25-12-13-26(15)21(16-8-10-24-11-9-16,19-6-3-7-20(19)23)17-4-2-5-18(22)14-17/h2,4-5,12-14,16,19-20,24H,3,6-11,23H2,1H3/t19?,20-,21?/m0/s1
InChIKeyOYRPWCKTQZRRFP-KBWCOIMZSA-N
XLogP3.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine 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

[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid
CID 156513770
methyl N-[(1S,2S)-2-[[1-[[1-[4-(azetidin-3-ylsulfonyl)-3-[(dimethylamino)methyl]-2-fluorophenyl]azetidin-3-yl]methyl]piperidin-4-yl]-(3-fluorophenyl)-(2-methylimidazol-1-yl)methyl]cyclopentyl]carbamate
CID 156886859
N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane
CID 142446718
tert-butyl N-[(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-piperidin-4-ylethyl]cyclopentyl]carbamate
CID 139550622
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
methyl N-[(1S,2S)-2-[(2-ethylimidazol-1-yl)-[1-[[1-(4-ethynylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 142446683
N-[(1S,2S)-2-[[1-[[1-[4-(benzenesulfonyl)phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-(2-ethylimidazol-1-yl)-(3-fluorophenyl)methyl]cyclopentyl]prop-2-enamide
CID 156542504
1-cyclopentyl-1-(3-fluorophenyl)propan-1-amine
CID 114872823
3-[difluoro-(3-fluorophenyl)methyl]azetidine
CID 105453338
4-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 131883405
N-[2-(3-fluorophenyl)propan-2-yl]cyclopentanamine
CID 115901868
4-[3-[[4-[(1R)-1-cyclopentyl-1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]azetidin-1-yl]benzonitrile;methyl carbamate
CID 145397424

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
The IUPAC name of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine (CID 156886845) is (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine.
What is the SMILES notation for (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
The canonical SMILES for (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine is Cc1nccn1C(c1cccc(F)c1)(C1CCNCC1)C1CCC[C@@H]1N.
What is the InChIKey of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
The InChIKey is OYRPWCKTQZRRFP-KBWCOIMZSA-N. The full InChI is InChI=1S/C21H29FN4/c1-15-25-12-13-26(15)21(16-8-10-24-11-9-16,19-6-3-7-20(19)23)17-4-2-5-18(22)14-17/h2,4-5,12-14,16,19-20,24H,3,6-11,23H2,1H3/t19?,20-,21?/m0/s1.
What are the key properties of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine has a molecular weight of 356.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine is sourced from PubChem (CID 156886845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).