N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C15H22N2O3 — CID 119301226

IUPACN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCNC2)cc1O
InChIInChI=1S/C15H22N2O3/c1-17(15(19)12-4-3-7-16-9-12)10-11-5-6-14(20-2)13(18)8-11/h5-6,8,12,16,18H,3-4,7,9-10H2,1-2H3
InChIKeyICIINHOGOZRBEE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.36
Rot. Bonds4

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 119301226) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID119301226
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCNC2)cc1O
InChIInChI=1S/C15H22N2O3/c1-17(15(19)12-4-3-7-16-9-12)10-11-5-6-14(20-2)13(18)8-11/h5-6,8,12,16,18H,3-4,7,9-10H2,1-2H3
InChIKeyICIINHOGOZRBEE-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
CID 119930822
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 119301226) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccc(CN(C)C(=O)C2CCCNC2)cc1O.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ICIINHOGOZRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(15(19)12-4-3-7-16-9-12)10-11-5-6-14(20-2)13(18)8-11/h5-6,8,12,16,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119301226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).