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

C21H23ClN2O2 — CID 51291775

IUPAC[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CC3c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-26-16-8-6-15(7-9-16)23-10-12-24(13-11-23)21(25)19-14-18(19)17-4-2-3-5-20(17)22/h2-9,18-19H,10-14H2,1H3
InChIKeyMERFFAQSPMNPDJ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.80
Rot. Bonds4

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

[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 51291775) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID51291775
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CC3c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-26-16-8-6-15(7-9-16)23-10-12-24(13-11-23)21(25)19-14-18(19)17-4-2-3-5-20(17)22/h2-9,18-19H,10-14H2,1H3
InChIKeyMERFFAQSPMNPDJ-UHFFFAOYSA-N
XLogP3.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51292364
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 95588006
2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 78832067
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 95588070
[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
CID 55550947
[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636451
cyclopropyl-[(1S)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 95101735

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 51291775) is [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)C3CC3c3ccccc3Cl)CC2)cc1.
What is the InChIKey of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is MERFFAQSPMNPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-26-16-8-6-15(7-9-16)23-10-12-24(13-11-23)21(25)19-14-18(19)17-4-2-3-5-20(17)22/h2-9,18-19H,10-14H2,1H3.
What are the key properties of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 370.88 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51291775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).