N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide

C14H21N3O2 — CID 115177811

IUPACN-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CNCCN1C
InChIInChI=1S/C14H21N3O2/c1-17-8-7-15-10-12(17)14(18)16-9-11-5-3-4-6-13(11)19-2/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyJXDYKATVZUDGRE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.22
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide (PubChem CID 115177811) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
PubChem CID115177811
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CNCCN1C
InChIInChI=1S/C14H21N3O2/c1-17-8-7-15-10-12(17)14(18)16-9-11-5-3-4-6-13(11)19-2/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyJXDYKATVZUDGRE-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

(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
CID 174377546
N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177796
1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 115177787
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177804
(3R,4S)-N-[(2-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917687
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120756974
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide (CID 115177811) is N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide is COc1ccccc1CNC(=O)C1CNCCN1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide?
The InChIKey is JXDYKATVZUDGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-8-7-15-10-12(17)14(18)16-9-11-5-3-4-6-13(11)19-2/h3-6,12,15H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-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]-1-methylpiperazine-2-carboxamide is sourced from PubChem (CID 115177811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).