(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide

C14H20N2O3 — CID 94081574

IUPAC(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
SMILESCOCc1ccccc1NC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c1-19-10-11-5-2-3-7-13(11)15-14(18)16-8-4-6-12(17)9-16/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyGLYINRLETANHTE-LBPRGKRZSA-N
MW264.32 g/mol
LogP1.82
Rot. Bonds3

About (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide

(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide (PubChem CID 94081574) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
PubChem CID94081574
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
SMILESCOCc1ccccc1NC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c1-19-10-11-5-2-3-7-13(11)15-14(18)16-8-4-6-12(17)9-16/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyGLYINRLETANHTE-LBPRGKRZSA-N
XLogP1.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 96541051
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
CID 51115588
(2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 94081557
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94653786
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004
N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 166183459

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide (CID 94081574) is (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide is COCc1ccccc1NC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is GLYINRLETANHTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-10-11-5-2-3-7-13(11)15-14(18)16-8-4-6-12(17)9-16/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide?
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 94081574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).