(1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile

C24H27N3O — CID 149169340

IUPAC(1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C2C[C@@]2(C#N)C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-17-5-8-20(9-6-17)21-15-24(21,16-25)23(28)27-12-10-26(11-13-27)22-14-18(2)4-7-19(22)3/h4-9,14,21H,10-13,15H2,1-3H3/t21?,24-/m0/s1
InChIKeyWYTBAXSMAAIFQH-FHZUCYEKSA-N
MW373.50 g/mol
LogP3.96
Rot. Bonds3

About (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile

(1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 149169340) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name(1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID149169340
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C2C[C@@]2(C#N)C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-17-5-8-20(9-6-17)21-15-24(21,16-25)23(28)27-12-10-26(11-13-27)22-14-18(2)4-7-19(22)3/h4-9,14,21H,10-13,15H2,1-3H3/t21?,24-/m0/s1
InChIKeyWYTBAXSMAAIFQH-FHZUCYEKSA-N
XLogP3.96
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone
CID 170230570
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 159187569
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone
CID 161065319
(1-cyclopropylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 138993514
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetonitrile
CID 82115548
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile (CID 149169340) is (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile is Cc1ccc(C2C[C@@]2(C#N)C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is WYTBAXSMAAIFQH-FHZUCYEKSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-5-8-20(9-6-17)21-15-24(21,16-25)23(28)27-12-10-26(11-13-27)22-14-18(2)4-7-19(22)3/h4-9,14,21H,10-13,15H2,1-3H3/t21?,24-/m0/s1.
What are the key properties of (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile?
(1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 373.50 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 149169340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).