N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide

C15H23N3O3 — CID 63363227

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CNC(C)CN2)c(OC)c1
InChIInChI=1S/C15H23N3O3/c1-10-7-17-13(9-16-10)15(19)18-8-11-4-5-12(20-2)6-14(11)21-3/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeyNAKUWFNVHMEOGB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.27
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide (PubChem CID 63363227) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
PubChem CID63363227
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CNC(C)CN2)c(OC)c1
InChIInChI=1S/C15H23N3O3/c1-10-7-17-13(9-16-10)15(19)18-8-11-4-5-12(20-2)6-14(11)21-3/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeyNAKUWFNVHMEOGB-UHFFFAOYSA-N
XLogP0.27
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
CID 82916253
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279598
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide
CID 134128095
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide (CID 63363227) is N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide is COc1ccc(CNC(=O)C2CNC(C)CN2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide?
The InChIKey is NAKUWFNVHMEOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-7-17-13(9-16-10)15(19)18-8-11-4-5-12(20-2)6-14(11)21-3/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63363227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).