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

C18H25FN2O2 — CID 42460789

IUPAC(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c19-16-7-2-6-15(10-16)11-20-13-18(23)8-3-9-21(17(18)22)12-14-4-1-5-14/h2,6-7,10,14,20,23H,1,3-5,8-9,11-13H2/t18-/m1/s1
InChIKeySHKJPZGVYMFKGY-GOSISDBHSA-N
MW320.41 g/mol
LogP2.07
Rot. Bonds6

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

(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 42460789) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID42460789
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c19-16-7-2-6-15(10-16)11-20-13-18(23)8-3-9-21(17(18)22)12-14-4-1-5-14/h2,6-7,10,14,20,23H,1,3-5,8-9,11-13H2/t18-/m1/s1
InChIKeySHKJPZGVYMFKGY-GOSISDBHSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 26397324
(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-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45227864
(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
CID 71816033
(3R)-1-(cyclobutylmethyl)-3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95210595
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42516603
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 26392288
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
CID 25305646
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310209

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (CID 42460789) is (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1cccc(F)c1.
What is the InChIKey of (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is SHKJPZGVYMFKGY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-16-7-2-6-15(10-16)11-20-13-18(23)8-3-9-21(17(18)22)12-14-4-1-5-14/h2,6-7,10,14,20,23H,1,3-5,8-9,11-13H2/t18-/m1/s1.
What are the key properties of (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42460789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).