2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide

C20H29N3O2 — CID 9223532

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C20H29N3O2/c24-19(21-15-17-7-3-1-4-8-17)16-22-11-13-23(14-12-22)20(25)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,24)
InChIKeyOLOXKFWDJXIRLB-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.14
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide (PubChem CID 9223532) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
PubChem CID9223532
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C20H29N3O2/c24-19(21-15-17-7-3-1-4-8-17)16-22-11-13-23(14-12-22)20(25)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,24)
InChIKeyOLOXKFWDJXIRLB-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide (CID 9223532) is 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCC1CCCCC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
The InChIKey is OLOXKFWDJXIRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(21-15-17-7-3-1-4-8-17)16-22-11-13-23(14-12-22)20(25)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,24).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 9223532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).