3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide

C15H22N2O3 — CID 128982995

IUPAC3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCc1cccc(CN2CCCC(O)(C(N)=O)C2)c1
InChIInChI=1S/C15H22N2O3/c1-20-10-13-5-2-4-12(8-13)9-17-7-3-6-15(19,11-17)14(16)18/h2,4-5,8,19H,3,6-7,9-11H2,1H3,(H2,16,18)
InChIKeySXVCHVATRBJSPY-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.65
Rot. Bonds5

About 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide

3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 128982995) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID128982995
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCc1cccc(CN2CCCC(O)(C(N)=O)C2)c1
InChIInChI=1S/C15H22N2O3/c1-20-10-13-5-2-4-12(8-13)9-17-7-3-6-15(19,11-17)14(16)18/h2,4-5,8,19H,3,6-7,9-11H2,1H3,(H2,16,18)
InChIKeySXVCHVATRBJSPY-UHFFFAOYSA-N
XLogP0.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116
methyl 3-[[2-(3-carbamoyl-3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
CID 138041983
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
(3S)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 100647776

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 128982995) is 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide is COCc1cccc(CN2CCCC(O)(C(N)=O)C2)c1.
What is the InChIKey of 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is SXVCHVATRBJSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-10-13-5-2-4-12(8-13)9-17-7-3-6-15(19,11-17)14(16)18/h2,4-5,8,19H,3,6-7,9-11H2,1H3,(H2,16,18).
What are the key properties of 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 128982995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).