[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

C20H20Cl2N2O — CID 18613656

IUPAC[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N2O/c21-15-3-1-14(2-4-15)18-13-19(18)20(25)24-11-9-23(10-12-24)17-7-5-16(22)6-8-17/h1-8,18-19H,9-13H2
InChIKeyWIIMCKCPIDJGKA-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.45
Rot. Bonds3

About [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 18613656) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID18613656
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N2O/c21-15-3-1-14(2-4-15)18-13-19(18)20(25)24-11-9-23(10-12-24)17-7-5-16(22)6-8-17/h1-8,18-19H,9-13H2
InChIKeyWIIMCKCPIDJGKA-UHFFFAOYSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
cis-(1R,2S)-2-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 7308003
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294877
[2-(4-chlorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022900
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone
CID 19329378
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327388
[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 137436681
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018
[2-(4-chlorophenyl)cyclopropyl]-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]phenyl]methanone
CID 52946472

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 18613656) is [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is O=C(C1CC1c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is WIIMCKCPIDJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-15-3-1-14(2-4-15)18-13-19(18)20(25)24-11-9-23(10-12-24)17-7-5-16(22)6-8-17/h1-8,18-19H,9-13H2.
What are the key properties of [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 375.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18613656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).