4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one

C22H29ClN2O2 — CID 77456720

IUPAC4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NC(CC2CC2)CN1C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O2/c1-13(2)9-20-21(26)24-17(10-14-3-4-14)12-25(20)22(27)19-11-18(19)15-5-7-16(23)8-6-15/h5-8,13-14,17-20H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeyZYNGJFCGMCHVGD-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.99
Rot. Bonds6

About 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one

4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one (PubChem CID 77456720) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one
PubChem CID77456720
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NC(CC2CC2)CN1C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O2/c1-13(2)9-20-21(26)24-17(10-14-3-4-14)12-25(20)22(27)19-11-18(19)15-5-7-16(23)8-6-15/h5-8,13-14,17-20H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeyZYNGJFCGMCHVGD-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one (CID 77456720) is 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NC(CC2CC2)CN1C(=O)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is ZYNGJFCGMCHVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-13(2)9-20-21(26)24-17(10-14-3-4-14)12-25(20)22(27)19-11-18(19)15-5-7-16(23)8-6-15/h5-8,13-14,17-20H,3-4,9-12H2,1-2H3,(H,24,26).
What are the key properties of 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one?
4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 388.94 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 77456720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).