1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide

C14H20N2O3 — CID 3884860

IUPAC1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(N)=O)CC2)c1O
InChIInChI=1S/C14H20N2O3/c1-19-12-4-2-3-11(13(12)17)9-16-7-5-10(6-8-16)14(15)18/h2-4,10,17H,5-9H2,1H3,(H2,15,18)
InChIKeyBZLPAZJARVLHLU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds4

About 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 3884860) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID3884860
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(N)=O)CC2)c1O
InChIInChI=1S/C14H20N2O3/c1-19-12-4-2-3-11(13(12)17)9-16-7-5-10(6-8-16)14(15)18/h2-4,10,17H,5-9H2,1H3,(H2,15,18)
InChIKeyBZLPAZJARVLHLU-UHFFFAOYSA-N
XLogP1.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 103881491
[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328069
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
3-amino-1-[(2-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320977

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 3884860) is 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CN2CCC(C(N)=O)CC2)c1O.
What is the InChIKey of 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BZLPAZJARVLHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12-4-2-3-11(13(12)17)9-16-7-5-10(6-8-16)14(15)18/h2-4,10,17H,5-9H2,1H3,(H2,15,18).
What are the key properties of 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3884860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).