N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide

C14H21N3O2 — CID 63104350

IUPACN-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CNCCN2)cc1
InChIInChI=1S/C14H21N3O2/c1-17(14(18)13-9-15-7-8-16-13)10-11-3-5-12(19-2)6-4-11/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyOJJRXDCLTVJZKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.22
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide (PubChem CID 63104350) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
PubChem CID63104350
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CNCCN2)cc1
InChIInChI=1S/C14H21N3O2/c1-17(14(18)13-9-15-7-8-16-13)10-11-3-5-12(19-2)6-4-11/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyOJJRXDCLTVJZKY-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

4-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 114428373
N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 55178802
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918260
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 61029723
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60717507
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
CID 103808021
(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 103793972
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 63104359
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide (CID 63104350) is N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide is COc1ccc(CN(C)C(=O)C2CNCCN2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is OJJRXDCLTVJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(14(18)13-9-15-7-8-16-13)10-11-3-5-12(19-2)6-4-11/h3-6,13,15-16H,7-10H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide?
N-[(4-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-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63104350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).