N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide

C25H37FN2O3 — CID 163849286

IUPACN-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(CO)(c2ccc(F)cc2)C(C)(C)C1
InChIInChI=1S/C25H37FN2O3/c1-17(2)21(27-22(30)18-7-5-6-8-18)23(31)28-14-13-25(16-29,24(3,4)15-28)19-9-11-20(26)12-10-19/h9-12,17-18,21,29H,5-8,13-16H2,1-4H3,(H,27,30)/t21-,25?/m1/s1
InChIKeyOSXUCKRNVYYAQX-JGKWMGOWSA-N
MW432.58 g/mol
LogP3.65
Rot. Bonds6

About N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide

N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 163849286) has the molecular formula C25H37FN2O3 and a molecular weight of 432.58 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID163849286
Molecular FormulaC25H37FN2O3
Molecular Weight432.58 g/mol
Exact Mass432.28
IUPAC NameN-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(CO)(c2ccc(F)cc2)C(C)(C)C1
InChIInChI=1S/C25H37FN2O3/c1-17(2)21(27-22(30)18-7-5-6-8-18)23(31)28-14-13-25(16-29,24(3,4)15-28)19-9-11-20(26)12-10-19/h9-12,17-18,21,29H,5-8,13-16H2,1-4H3,(H,27,30)/t21-,25?/m1/s1
InChIKeyOSXUCKRNVYYAQX-JGKWMGOWSA-N
XLogP3.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide 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

N-[(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 41356873
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424
(1R,3S,4S)-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-4-methylcyclopentane-1-carboxamide;trans-(3R,4R)-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-4-methylcyclopentane-1-carboxamide
CID 158947352
N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 67299754
1-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
CID 120805768
(8R)-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide
CID 67113808
N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014814
N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide
CID 67299637
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
6-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174706
N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide
CID 18135389
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24759076

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide (CID 163849286) is N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide is CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(CO)(c2ccc(F)cc2)C(C)(C)C1.
What is the InChIKey of N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is OSXUCKRNVYYAQX-JGKWMGOWSA-N. The full InChI is InChI=1S/C25H37FN2O3/c1-17(2)21(27-22(30)18-7-5-6-8-18)23(31)28-14-13-25(16-29,24(3,4)15-28)19-9-11-20(26)12-10-19/h9-12,17-18,21,29H,5-8,13-16H2,1-4H3,(H,27,30)/t21-,25?/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 432.58 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 163849286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).