N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide

C22H27N3O2 — CID 110369681

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-16(2)18-4-6-19(7-5-18)22(27)23-20-8-10-21(11-9-20)25-14-12-24(13-15-25)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)
InChIKeyMDPASVABTFISQK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.73
Rot. Bonds4

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 110369681) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
PubChem CID110369681
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-16(2)18-4-6-19(7-5-18)22(27)23-20-8-10-21(11-9-20)25-14-12-24(13-15-25)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)
InChIKeyMDPASVABTFISQK-UHFFFAOYSA-N
XLogP3.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
methyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112397
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3161431
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
1-[4-[4-(1-sulfanylethyl)phenyl]piperazin-1-yl]ethanone
CID 163789596
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-chlorobenzamide
CID 1140531
ethyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112405

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide (CID 110369681) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is MDPASVABTFISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)18-4-6-19(7-5-18)22(27)23-20-8-10-21(11-9-20)25-14-12-24(13-15-25)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 110369681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).