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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Related Compounds

(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl)-N-methylpiperidine-2-carboxamide
CID 11603611
(2R)-2-[3-(4-chlorophenyl)propyl]-N-[(2S)-3-cyclohexyl-1-[[3-[4-(dimethylamino)butylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]-N'-hydroxybutanediamide
CID 44314931
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
N-[(2R)-1-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 54586172
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56676958
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[4-(dimethylamino)cyclohexyl]propanamide
CID 56680283
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 2117006
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
N~1~-[2-(1-Azepanyl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 2233784

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).