[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone

C20H21ClN2O — CID 110436800

IUPAC[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O/c21-17-6-4-5-16(15-17)20(9-10-20)19(24)23-13-11-22(12-14-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2
InChIKeyIYIVSFQYMUWLFC-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.72
Rot. Bonds3

About [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone

[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110436800) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID110436800
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O/c21-17-6-4-5-16(15-17)20(9-10-20)19(24)23-13-11-22(12-14-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2
InChIKeyIYIVSFQYMUWLFC-UHFFFAOYSA-N
XLogP3.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 113198662
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (CID 110436800) is [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccc2)CC1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is IYIVSFQYMUWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-17-6-4-5-16(15-17)20(9-10-20)19(24)23-13-11-22(12-14-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2.
What are the key properties of [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 340.85 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110436800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).