3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide

C23H25N3O2 — CID 30885160

IUPAC3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1occc1-c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23(22-21(11-18-28-22)19-7-3-1-4-8-19)24-12-13-25-14-16-26(17-15-25)20-9-5-2-6-10-20/h1-11,18H,12-17H2,(H,24,27)
InChIKeyLBEPKRWXNIINCK-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.50
Rot. Bonds6

About 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide

3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 30885160) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
PubChem CID30885160
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1occc1-c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23(22-21(11-18-28-22)19-7-3-1-4-8-19)24-12-13-25-14-16-26(17-15-25)20-9-5-2-6-10-20/h1-11,18H,12-17H2,(H,24,27)
InChIKeyLBEPKRWXNIINCK-UHFFFAOYSA-N
XLogP3.50
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide
CID 55932766
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 166351505
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide (CID 30885160) is 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)c1occc1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is LBEPKRWXNIINCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(22-21(11-18-28-22)19-7-3-1-4-8-19)24-12-13-25-14-16-26(17-15-25)20-9-5-2-6-10-20/h1-11,18H,12-17H2,(H,24,27).
What are the key properties of 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 30885160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).