(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone

C15H22N2O3 — CID 97094005

IUPAC(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCN(C)C[C@@H]2C)c1
InChIInChI=1S/C15H22N2O3/c1-11-10-16(2)7-8-17(11)15(18)13-9-12(19-3)5-6-14(13)20-4/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m0/s1
InChIKeyLDMKNUSURTWGQP-NSHDSACASA-N
MW278.35 g/mol
LogP1.48
Rot. Bonds3

About (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone

(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone (PubChem CID 97094005) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
PubChem CID97094005
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCN(C)C[C@@H]2C)c1
InChIInChI=1S/C15H22N2O3/c1-11-10-16(2)7-8-17(11)15(18)13-9-12(19-3)5-6-14(13)20-4/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m0/s1
InChIKeyLDMKNUSURTWGQP-NSHDSACASA-N
XLogP1.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80504005
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
CID 146329900
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 97093981
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 154607808
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 71877149
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 71877292
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone (CID 97094005) is (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CCN(C)C[C@@H]2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone?
The InChIKey is LDMKNUSURTWGQP-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-10-16(2)7-8-17(11)15(18)13-9-12(19-3)5-6-14(13)20-4/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone?
(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 97094005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).