(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

C18H27FN2O2 — CID 97012359

IUPAC(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](CO)C1
InChIInChI=1S/C18H27FN2O2/c1-13(2)17(10-14-5-7-16(19)8-6-14)20-18(23)21-9-3-4-15(11-21)12-22/h5-8,13,15,17,22H,3-4,9-12H2,1-2H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyLYMDKCPYHMCMGA-NVXWUHKLSA-N
MW322.42 g/mol
LogP2.81
Rot. Bonds5

About (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 97012359) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID97012359
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](CO)C1
InChIInChI=1S/C18H27FN2O2/c1-13(2)17(10-14-5-7-16(19)8-6-14)20-18(23)21-9-3-4-15(11-21)12-22/h5-8,13,15,17,22H,3-4,9-12H2,1-2H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyLYMDKCPYHMCMGA-NVXWUHKLSA-N
XLogP2.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 95969356
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969197
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440
(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 95969370
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 111439039

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 97012359) is (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](CO)C1.
What is the InChIKey of (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is LYMDKCPYHMCMGA-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-13(2)17(10-14-5-7-16(19)8-6-14)20-18(23)21-9-3-4-15(11-21)12-22/h5-8,13,15,17,22H,3-4,9-12H2,1-2H3,(H,20,23)/t15-,17-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 322.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97012359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).