2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide

C22H30ClN3O2 — CID 134047573

IUPAC2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1)NC1CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-6-4-5-17(15-18)22(9-2-1-3-10-22)21(28)26-13-11-25(12-14-26)16-20(27)24-19-7-8-19/h4-6,15,19H,1-3,7-14,16H2,(H,24,27)
InChIKeyIAHJBQUHRYGXMC-UHFFFAOYSA-N
MW403.95 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 134047573) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID134047573
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1)NC1CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-6-4-5-17(15-18)22(9-2-1-3-10-22)21(28)26-13-11-25(12-14-26)16-20(27)24-19-7-8-19/h4-6,15,19H,1-3,7-14,16H2,(H,24,27)
InChIKeyIAHJBQUHRYGXMC-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39279831
2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47020973
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
tert-butyl 4-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]piperidine-1-carboxylate
CID 52731080
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426573
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 134047573) is 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1)NC1CC1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is IAHJBQUHRYGXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c23-18-6-4-5-17(15-18)22(9-2-1-3-10-22)21(28)26-13-11-25(12-14-26)16-20(27)24-19-7-8-19/h4-6,15,19H,1-3,7-14,16H2,(H,24,27).
What are the key properties of 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 403.95 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 134047573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).