(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

C20H29FN2O2 — CID 26397324

IUPAC(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1cccc(F)c1
InChIInChI=1S/C20H29FN2O2/c21-18-9-4-8-17(12-18)13-22-15-20(25)10-5-11-23(19(20)24)14-16-6-2-1-3-7-16/h4,8-9,12,16,22,25H,1-3,5-7,10-11,13-15H2/t20-/m1/s1
InChIKeyHMPQLKMONBFBBV-HXUWFJFHSA-N
MW348.46 g/mol
LogP2.85
Rot. Bonds6

About (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 26397324) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID26397324
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1cccc(F)c1
InChIInChI=1S/C20H29FN2O2/c21-18-9-4-8-17(12-18)13-22-15-20(25)10-5-11-23(19(20)24)14-16-6-2-1-3-7-16/h4,8-9,12,16,22,25H,1-3,5-7,10-11,13-15H2/t20-/m1/s1
InChIKeyHMPQLKMONBFBBV-HXUWFJFHSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one 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

(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42460789
(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
CID 71816033
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42516603
(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42096017
(3S)-1-[(3,4-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42244126
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45227864
(3R)-1-(cyclobutylmethyl)-3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95210595
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 26392288
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
CID 25305646
(3S)-3-[(cyclohexylmethylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 42508110
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (CID 26397324) is (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1cccc(F)c1.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is HMPQLKMONBFBBV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-18-9-4-8-17(12-18)13-22-15-20(25)10-5-11-23(19(20)24)14-16-6-2-1-3-7-16/h4,8-9,12,16,22,25H,1-3,5-7,10-11,13-15H2/t20-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 348.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 26397324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).