N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide

C25H32N4O2 — CID 9327985

IUPACN-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C25H32N4O2/c30-24(26-22-10-12-23(13-11-22)28-14-6-1-2-7-15-28)20-27-16-18-29(19-17-27)25(31)21-8-4-3-5-9-21/h3-5,8-13H,1-2,6-7,14-20H2,(H,26,30)
InChIKeyMSDSUXWICSUBST-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide

N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide (PubChem CID 9327985) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
PubChem CID9327985
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C25H32N4O2/c30-24(26-22-10-12-23(13-11-22)28-14-6-1-2-7-15-28)20-27-16-18-29(19-17-27)25(31)21-8-4-3-5-9-21/h3-5,8-13H,1-2,6-7,14-20H2,(H,26,30)
InChIKeyMSDSUXWICSUBST-UHFFFAOYSA-N
XLogP3.46
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 51172052
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 18196358
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide (CID 9327985) is N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide?
The InChIKey is MSDSUXWICSUBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(26-22-10-12-23(13-11-22)28-14-6-1-2-7-15-28)20-27-16-18-29(19-17-27)25(31)21-8-4-3-5-9-21/h3-5,8-13H,1-2,6-7,14-20H2,(H,26,30).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide?
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide has a molecular weight of 420.56 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9327985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).