(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide

C20H29FN2O — CID 100652811

IUPAC(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
SMILESC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C20H29FN2O/c1-14(16-4-3-11-22-13-16)12-20(24)23-19-6-2-5-18(19)15-7-9-17(21)10-8-15/h7-10,14,16,18-19,22H,2-6,11-13H2,1H3,(H,23,24)/t14-,16-,18-,19-/m1/s1
InChIKeyHTUGCFWMWWSOBB-YCEFEEMOSA-N
MW332.46 g/mol
LogP3.60
Rot. Bonds5

About (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide

(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide (PubChem CID 100652811) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
PubChem CID100652811
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
SMILESC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C20H29FN2O/c1-14(16-4-3-11-22-13-16)12-20(24)23-19-6-2-5-18(19)15-7-9-17(21)10-8-15/h7-10,14,16,18-19,22H,2-6,11-13H2,1H3,(H,23,24)/t14-,16-,18-,19-/m1/s1
InChIKeyHTUGCFWMWWSOBB-YCEFEEMOSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide with MolForge

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide
CID 119695812
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119695811
N-[1-(4-fluorophenyl)cyclopentyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119752707
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide?
The IUPAC name of (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide (CID 100652811) is (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide.
What is the SMILES notation for (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide?
The canonical SMILES for (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide is C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide?
The InChIKey is HTUGCFWMWWSOBB-YCEFEEMOSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-14(16-4-3-11-22-13-16)12-20(24)23-19-6-2-5-18(19)15-7-9-17(21)10-8-15/h7-10,14,16,18-19,22H,2-6,11-13H2,1H3,(H,23,24)/t14-,16-,18-,19-/m1/s1.
What are the key properties of (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide?
(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide has a molecular weight of 332.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide is sourced from PubChem (CID 100652811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).