(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C19H22N2O2 — CID 37332417

IUPAC(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-20-12-13-21(18(14-20)15-6-4-3-5-7-15)19(22)16-8-10-17(23-2)11-9-16/h3-11,18H,12-14H2,1-2H3/t18-/m1/s1
InChIKeyGAOXAFUVHATZNF-GOSISDBHSA-N
MW310.40 g/mol
LogP2.82
Rot. Bonds3

About (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 37332417) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID37332417
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-20-12-13-21(18(14-20)15-6-4-3-5-7-15)19(22)16-8-10-17(23-2)11-9-16/h3-11,18H,12-14H2,1-2H3/t18-/m1/s1
InChIKeyGAOXAFUVHATZNF-GOSISDBHSA-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

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 51673103
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533935
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533896
(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 51724484
1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 37332417) is (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is GAOXAFUVHATZNF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-12-13-21(18(14-20)15-6-4-3-5-7-15)19(22)16-8-10-17(23-2)11-9-16/h3-11,18H,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
(4-methoxyphenyl)-[(2S)-4-methyl-2-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 (4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 37332417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).