2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide

C22H33N3O2 — CID 134014588

IUPAC2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-12-23-21(26)17-24-13-15-25(16-14-24)22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,18H,2-7,12-17H2,1H3,(H,23,26)
InChIKeyIYBLJHMCEJMJCP-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.02
Rot. Bonds6

About 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide

2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 134014588) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
PubChem CID134014588
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-12-23-21(26)17-24-13-15-25(16-14-24)22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,18H,2-7,12-17H2,1H3,(H,23,26)
InChIKeyIYBLJHMCEJMJCP-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 18163281
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
4-cyclohexyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162781
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 134045231
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
2-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55372681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide (CID 134014588) is 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is IYBLJHMCEJMJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-12-23-21(26)17-24-13-15-25(16-14-24)22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,18H,2-7,12-17H2,1H3,(H,23,26).
What are the key properties of 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 371.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134014588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).