N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide

C22H27N3O2 — CID 109051475

IUPACN-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-3-17(2)23-21(26)18-8-7-9-19(16-18)22(27)25-14-12-24(13-15-25)20-10-5-4-6-11-20/h4-11,16-17H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyGRBYGYOABZOPEF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.18
Rot. Bonds5

About N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide

N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide (PubChem CID 109051475) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
PubChem CID109051475
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-3-17(2)23-21(26)18-8-7-9-19(16-18)22(27)25-14-12-24(13-15-25)20-10-5-4-6-11-20/h4-11,16-17H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyGRBYGYOABZOPEF-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109053638
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999
N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide (CID 109051475) is N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide is CCC(C)NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
The InChIKey is GRBYGYOABZOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-17(2)23-21(26)18-8-7-9-19(16-18)22(27)25-14-12-24(13-15-25)20-10-5-4-6-11-20/h4-11,16-17H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109051475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).