N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide

C14H21N3O2 — CID 55178802

IUPACN-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CNCCN1
InChIInChI=1S/C14H21N3O2/c1-17(14(18)12-9-15-7-8-16-12)10-11-5-3-4-6-13(11)19-2/h3-6,12,15-16H,7-10H2,1-2H3
InChIKeyREZSLFIAVTZKFQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.22
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide (PubChem CID 55178802) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
PubChem CID55178802
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CNCCN1
InChIInChI=1S/C14H21N3O2/c1-17(14(18)12-9-15-7-8-16-12)10-11-5-3-4-6-13(11)19-2/h3-6,12,15-16H,7-10H2,1-2H3
InChIKeyREZSLFIAVTZKFQ-UHFFFAOYSA-N
XLogP0.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide
CID 65486341
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 63104359
N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 63104350
N-[(2-methoxyphenyl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 61417523
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944496
N-[(2-methoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119266864

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide (CID 55178802) is N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide is COc1ccccc1CN(C)C(=O)C1CNCCN1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is REZSLFIAVTZKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(14(18)12-9-15-7-8-16-12)10-11-5-3-4-6-13(11)19-2/h3-6,12,15-16H,7-10H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 55178802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).