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

C13H18N2O2 — CID 50999804

IUPAC(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)13(16)11-5-3-4-6-12(11)17-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyDSZCACCCYSPTJI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

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

(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 50999804) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID50999804
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)13(16)11-5-3-4-6-12(11)17-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyDSZCACCCYSPTJI-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

(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82248431
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124688381
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone
CID 53385289
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone (CID 50999804) is (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone is COc1ccccc1C(=O)N1CCNC(C)C1.
What is the InChIKey of (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is DSZCACCCYSPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)13(16)11-5-3-4-6-12(11)17-2/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
(2-methoxyphenyl)-(3-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 (2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 50999804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).