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

C21H22Cl2N2O — CID 19294877

IUPAC[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H22Cl2N2O/c22-17-7-5-15(6-8-17)18-13-19(18)21(26)25-11-9-24(10-12-25)14-16-3-1-2-4-20(16)23/h1-8,18-19H,9-14H2
InChIKeyZFDCRLJZAHGWIR-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.44
Rot. Bonds4

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

[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19294877) has the molecular formula C21H22Cl2N2O and a molecular weight of 389.33 g/mol. Its IUPAC name is [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19294877
Molecular FormulaC21H22Cl2N2O
Molecular Weight389.33 g/mol
Exact Mass388.11
IUPAC Name[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H22Cl2N2O/c22-17-7-5-15(6-8-17)18-13-19(18)21(26)25-11-9-24(10-12-25)14-16-3-1-2-4-20(16)23/h1-8,18-19H,9-14H2
InChIKeyZFDCRLJZAHGWIR-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327388
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone
CID 19329378
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297403
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 18613656
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 78788936
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95585732
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
(4-benzylpiperazin-1-yl)-[(3S,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)piperidin-3-yl]methanone
CID 92997394

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19294877) is [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(C1CC1c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZFDCRLJZAHGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O/c22-17-7-5-15(6-8-17)18-13-19(18)21(26)25-11-9-24(10-12-25)14-16-3-1-2-4-20(16)23/h1-8,18-19H,9-14H2.
What are the key properties of [2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 389.33 g/mol, XLogP of 4.44, 4 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-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19294877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).