(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C16H22F2N2O2 — CID 95969197

IUPAC(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@H](CO)C1)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-11(14-5-4-13(17)7-15(14)18)8-19-16(22)20-6-2-3-12(9-20)10-21/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyUZCSOVUCHYPEMP-NEPJUHHUSA-N
MW312.36 g/mol
LogP2.48
Rot. Bonds4

About (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 95969197) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID95969197
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@H](CO)C1)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-11(14-5-4-13(17)7-15(14)18)8-19-16(22)20-6-2-3-12(9-20)10-21/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyUZCSOVUCHYPEMP-NEPJUHHUSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxamide
CID 99832587
(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97012359
N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
CID 100641141
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882655
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812
(3R)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96997784
(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 96545860
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894864
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 132971826

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 95969197) is (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC[C@H](CO)C1)c1ccc(F)cc1F.
What is the InChIKey of (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UZCSOVUCHYPEMP-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11(14-5-4-13(17)7-15(14)18)8-19-16(22)20-6-2-3-12(9-20)10-21/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95969197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).