(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone

C20H24N2O2 — CID 25489891

IUPAC(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)ccc1C
InChIInChI=1S/C20H24N2O2/c1-15-9-10-17(13-19(15)24-3)20(23)22-12-11-21(2)14-18(22)16-7-5-4-6-8-16/h4-10,13,18H,11-12,14H2,1-3H3/t18-/m0/s1
InChIKeySCFQEOBTZLZBKF-SFHVURJKSA-N
MW324.42 g/mol
LogP3.13
Rot. Bonds3

About (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone

(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 25489891) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID25489891
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)ccc1C
InChIInChI=1S/C20H24N2O2/c1-15-9-10-17(13-19(15)24-3)20(23)22-12-11-21(2)14-18(22)16-7-5-4-6-8-16/h4-10,13,18H,11-12,14H2,1-3H3/t18-/m0/s1
InChIKeySCFQEOBTZLZBKF-SFHVURJKSA-N
XLogP3.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533935
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
1-[2-methyl-5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97156710
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332978
2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 78822334
4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
CID 60547515

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 25489891) is (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is SCFQEOBTZLZBKF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-9-10-17(13-19(15)24-3)20(23)22-12-11-21(2)14-18(22)16-7-5-4-6-8-16/h4-10,13,18H,11-12,14H2,1-3H3/t18-/m0/s1.
What are the key properties of (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone?
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 25489891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).