(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone

C19H22N2O2 — CID 110418480

IUPAC(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-20-12-13-21(14-17(20)15-8-4-3-5-9-15)19(22)16-10-6-7-11-18(16)23-2/h3-11,17H,12-14H2,1-2H3
InChIKeyJPXNDLKMFNIHFX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.82
Rot. Bonds3

About (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone

(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone (PubChem CID 110418480) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
PubChem CID110418480
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-20-12-13-21(14-17(20)15-8-4-3-5-9-15)19(22)16-10-6-7-11-18(16)23-2/h3-11,17H,12-14H2,1-2H3
InChIKeyJPXNDLKMFNIHFX-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 56880850

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone (CID 110418480) is (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone is COc1ccccc1C(=O)N1CCN(C)C(c2ccccc2)C1.
What is the InChIKey of (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The InChIKey is JPXNDLKMFNIHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-12-13-21(14-17(20)15-8-4-3-5-9-15)19(22)16-10-6-7-11-18(16)23-2/h3-11,17H,12-14H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110418480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).