N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide

C15H22N2O4 — CID 38151892

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(O)CC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-13-4-3-11(9-14(13)21-2)10-16-15(19)17-7-5-12(18)6-8-17/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyINGZXBUJMNQLLV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.37
Rot. Bonds4

About N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 38151892) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID38151892
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(O)CC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-13-4-3-11(9-14(13)21-2)10-16-15(19)17-7-5-12(18)6-8-17/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyINGZXBUJMNQLLV-UHFFFAOYSA-N
XLogP1.37
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113110019
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 38151892) is N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC(O)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is INGZXBUJMNQLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-13-4-3-11(9-14(13)21-2)10-16-15(19)17-7-5-12(18)6-8-17/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 38151892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).