N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide

C25H25N3O2 — CID 135236329

IUPACN-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)N2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C25H25N3O2/c29-24(27-17-19-7-3-1-4-8-19)21-11-13-22(14-12-21)25(30)28-16-15-26-23(18-28)20-9-5-2-6-10-20/h1-14,23,26H,15-18H2,(H,27,29)
InChIKeyZSGJJUFJKSFVDR-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.40
Rot. Bonds5

About N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide

N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide (PubChem CID 135236329) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide
PubChem CID135236329
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)N2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C25H25N3O2/c29-24(27-17-19-7-3-1-4-8-19)21-11-13-22(14-12-21)25(30)28-16-15-26-23(18-28)20-9-5-2-6-10-20/h1-14,23,26H,15-18H2,(H,27,29)
InChIKeyZSGJJUFJKSFVDR-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 97141855
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[3-(3-hydroxy-3-methylbutyl)phenyl]-(3-phenylpiperazin-1-yl)methanone
CID 70742075
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone
CID 51351002
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
3-oxo-3-(3-phenylpiperazin-1-yl)propanenitrile
CID 110477949
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide (CID 135236329) is N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide is O=C(NCc1ccccc1)c1ccc(C(=O)N2CCNC(c3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide?
The InChIKey is ZSGJJUFJKSFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(27-17-19-7-3-1-4-8-19)21-11-13-22(14-12-21)25(30)28-16-15-26-23(18-28)20-9-5-2-6-10-20/h1-14,23,26H,15-18H2,(H,27,29).
What are the key properties of N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide?
N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 135236329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).