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

C17H21ClN2O — CID 71936528

IUPAC[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H21ClN2O/c18-16-4-2-1-3-13(16)14-11-15(14)17(21)20-9-7-19(8-10-20)12-5-6-12/h1-4,12,14-15H,5-11H2
InChIKeyUCVGQQFAHKGZHM-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.75
Rot. Bonds3

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

[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 71936528) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID71936528
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H21ClN2O/c18-16-4-2-1-3-13(16)14-11-15(14)17(21)20-9-7-19(8-10-20)12-5-6-12/h1-4,12,14-15H,5-11H2
InChIKeyUCVGQQFAHKGZHM-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone (CID 71936528) is [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone is O=C(C1CC1c1ccccc1Cl)N1CCN(C2CC2)CC1.
What is the InChIKey of [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is UCVGQQFAHKGZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-16-4-2-1-3-13(16)14-11-15(14)17(21)20-9-7-19(8-10-20)12-5-6-12/h1-4,12,14-15H,5-11H2.
What are the key properties of [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone?
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 304.82 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 71936528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).