(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone

C13H18N2O2 — CID 51000391

IUPAC(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCNCC2C)c1
InChIInChI=1S/C13H18N2O2/c1-10-9-14-6-7-15(10)13(16)11-4-3-5-12(8-11)17-2/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeySQYNRQYEQYKVGQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

About (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone

(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 51000391) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID51000391
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCNCC2C)c1
InChIInChI=1S/C13H18N2O2/c1-10-9-14-6-7-15(10)13(16)11-4-3-5-12(8-11)17-2/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeySQYNRQYEQYKVGQ-UHFFFAOYSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
methyl 5-methoxy-2-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzoate;hydrochloride
CID 154903926
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661
(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755155
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone (CID 51000391) is (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone is COc1cccc(C(=O)N2CCNCC2C)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is SQYNRQYEQYKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-14-6-7-15(10)13(16)11-4-3-5-12(8-11)17-2/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 51000391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).