(2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone

C15H18Cl2N2O — CID 2970784

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C15H18Cl2N2O/c1-14(11-15(14,16)17)13(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyHUKSHKNQLHGGOR-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.92
Rot. Bonds2

About (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2970784) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2970784
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C15H18Cl2N2O/c1-14(11-15(14,16)17)13(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyHUKSHKNQLHGGOR-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Phenampromide
CID 8523
Piperazine, 1-(cyclobutylcarbonyl)-4-phenyl-
CID 216017
1-Cyclopropanecarbonyl-4-(4-fluorophenyl)piperazine
CID 757898
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
1-(4-Phenylpiperazin-1-yl)ethanone
CID 205876
1-(4-Chlorophenyl)-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]piperazine
CID 728235
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
[4-(4-Chlorophenyl)piperazin-1-yl]-cyclobutylmethanone
CID 1225855
1-[4-(3-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258306
1-{[3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}-4-phenylpiperazine
CID 2940132
(2,2-dichloro-1-methylcyclopropyl)(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 2971206
N-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-2,2-dimethyl-butyramide
CID 10359736

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone (CID 2970784) is (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone is CC1(C(=O)N2CCN(c3ccccc3)CC2)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HUKSHKNQLHGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-14(11-15(14,16)17)13(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 313.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2970784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).