2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide

C18H27N3O2 — CID 18082973

IUPAC2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-16(4-2)19-17(22)14-20-10-12-21(13-11-20)18(23)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,22)
InChIKeyABHIOUFTNDELNL-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide

2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide (PubChem CID 18082973) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
PubChem CID18082973
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-16(4-2)19-17(22)14-20-10-12-21(13-11-20)18(23)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,22)
InChIKeyABHIOUFTNDELNL-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3S)-2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-3-methylpentanoate
CID 8597260
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 9223420
2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide (CID 18082973) is 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is ABHIOUFTNDELNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-16(4-2)19-17(22)14-20-10-12-21(13-11-20)18(23)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide?
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.75, 6 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-pentan-3-ylacetamide is sourced from PubChem (CID 18082973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).