N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide

C15H22N2O3 — CID 43708041

IUPACN-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCCNC2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-10-7-13(19-2)14(20-3)8-12(10)17-15(18)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyVKPALTJDUJUJRY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.95
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 43708041) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
PubChem CID43708041
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCCNC2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-10-7-13(19-2)14(20-3)8-12(10)17-15(18)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyVKPALTJDUJUJRY-UHFFFAOYSA-N
XLogP1.95
TPSA59.59 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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-(5-methyl-1H-indazol-6-yl)piperidine-3-carboxamide
CID 119317537
N-(5-methyl-1H-indazol-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119317536
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide (CID 43708041) is N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide is COc1cc(C)c(NC(=O)C2CCCNC2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is VKPALTJDUJUJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-7-13(19-2)14(20-3)8-12(10)17-15(18)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43708041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).