(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide

C14H19FN2O3 — CID 56892475

IUPAC(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CC[C@H](CO)[C@H](O)C1
InChIInChI=1S/C14H19FN2O3/c1-9-2-3-11(15)6-12(9)16-14(20)17-5-4-10(8-18)13(19)7-17/h2-3,6,10,13,18-19H,4-5,7-8H2,1H3,(H,16,20)/t10-,13-/m1/s1
InChIKeyOKOCCKMRHOBGAX-ZWNOBZJWSA-N
MW282.31 g/mol
LogP1.34
Rot. Bonds2

About (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide

(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 56892475) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID56892475
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CC[C@H](CO)[C@H](O)C1
InChIInChI=1S/C14H19FN2O3/c1-9-2-3-11(15)6-12(9)16-14(20)17-5-4-10(8-18)13(19)7-17/h2-3,6,10,13,18-19H,4-5,7-8H2,1H3,(H,16,20)/t10-,13-/m1/s1
InChIKeyOKOCCKMRHOBGAX-ZWNOBZJWSA-N
XLogP1.34
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119036533
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
(2R,4R)-1-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000168
2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
(3S,4S)-4-[(dimethylamino)methyl]-N-(2-fluoro-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 72920199
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 17421893
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide (CID 56892475) is (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide is Cc1ccc(F)cc1NC(=O)N1CC[C@H](CO)[C@H](O)C1.
What is the InChIKey of (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is OKOCCKMRHOBGAX-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9-2-3-11(15)6-12(9)16-14(20)17-5-4-10(8-18)13(19)7-17/h2-3,6,10,13,18-19H,4-5,7-8H2,1H3,(H,16,20)/t10-,13-/m1/s1.
What are the key properties of (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56892475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).