(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

C18H25FN2O2 — CID 42096017

IUPAC(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCc1ccc(CNC[C@]2(O)CCCN(CC3CC3)C2=O)cc1F
InChIInChI=1S/C18H25FN2O2/c1-13-3-4-15(9-16(13)19)10-20-12-18(23)7-2-8-21(17(18)22)11-14-5-6-14/h3-4,9,14,20,23H,2,5-8,10-12H2,1H3/t18-/m1/s1
InChIKeyJNZDWAKIKPRBHM-GOSISDBHSA-N
MW320.41 g/mol
LogP1.99
Rot. Bonds6

About (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 42096017) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID42096017
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCc1ccc(CNC[C@]2(O)CCCN(CC3CC3)C2=O)cc1F
InChIInChI=1S/C18H25FN2O2/c1-13-3-4-15(9-16(13)19)10-20-12-18(23)7-2-8-21(17(18)22)11-14-5-6-14/h3-4,9,14,20,23H,2,5-8,10-12H2,1H3/t18-/m1/s1
InChIKeyJNZDWAKIKPRBHM-GOSISDBHSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42460789
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 26392288
(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 26397324
(3R)-1-(cyclobutylmethyl)-3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95210595
(3S)-3-[(cyclohexylmethylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 42508110
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310833
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[2-(3-methylthiophen-2-yl)ethylamino]methyl]piperidin-2-one
CID 95198454
(3S)-3-[[(1-acetylpiperidin-4-yl)methylamino]methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 25493488
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
3-[(benzylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 45212933
(3S)-1-[(3,4-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42244126
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42516603

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (CID 42096017) is (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is Cc1ccc(CNC[C@]2(O)CCCN(CC3CC3)C2=O)cc1F.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is JNZDWAKIKPRBHM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-3-4-15(9-16(13)19)10-20-12-18(23)7-2-8-21(17(18)22)11-14-5-6-14/h3-4,9,14,20,23H,2,5-8,10-12H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42096017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).