4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide

C21H25N3O2 — CID 109043114

IUPAC4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16(2)22-20(25)17-8-10-18(11-9-17)21(26)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyOKSMBGDHPLASBJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.79
Rot. Bonds4

About 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide

4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide (PubChem CID 109043114) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
PubChem CID109043114
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16(2)22-20(25)17-8-10-18(11-9-17)21(26)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyOKSMBGDHPLASBJ-UHFFFAOYSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
CID 136519238
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043130
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide (CID 109043114) is 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
The InChIKey is OKSMBGDHPLASBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)22-20(25)17-8-10-18(11-9-17)21(26)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 109043114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).