[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane

C24H32N2O — CID 143982822

IUPAC[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane
SMILESCC.Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3C3CC3)CC2)cc1
InChIInChI=1S/C22H26N2O.C2H6/c1-16-3-6-19(7-4-16)22(25)24-13-11-23(12-14-24)21-10-5-17(2)15-20(21)18-8-9-18;1-2/h3-7,10,15,18H,8-9,11-14H2,1-2H3;1-2H3
InChIKeyLQXVEMOWOLLPKW-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.17
Rot. Bonds3

About [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane

[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane (PubChem CID 143982822) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane.

Molecular Properties

Compound Name[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane
PubChem CID143982822
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane
SMILESCC.Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3C3CC3)CC2)cc1
InChIInChI=1S/C22H26N2O.C2H6/c1-16-3-6-19(7-4-16)22(25)24-13-11-23(12-14-24)21-10-5-17(2)15-20(21)18-8-9-18;1-2/h3-7,10,15,18H,8-9,11-14H2,1-2H3;1-2H3
InChIKeyLQXVEMOWOLLPKW-UHFFFAOYSA-N
XLogP5.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141370639
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane?
The IUPAC name of [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane (CID 143982822) is [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane.
What is the SMILES notation for [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane?
The canonical SMILES for [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane is CC.Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3C3CC3)CC2)cc1.
What is the InChIKey of [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane?
The InChIKey is LQXVEMOWOLLPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.C2H6/c1-16-3-6-19(7-4-16)22(25)24-13-11-23(12-14-24)21-10-5-17(2)15-20(21)18-8-9-18;1-2/h3-7,10,15,18H,8-9,11-14H2,1-2H3;1-2H3.
What are the key properties of [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane?
[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane has a molecular weight of 364.53 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane is sourced from PubChem (CID 143982822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).