N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide

C26H31N3O2 — CID 55932766

IUPACN-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1occc1-c1ccccc1
InChIInChI=1S/C26H31N3O2/c30-26(25-24(13-20-31-25)23-11-5-2-6-12-23)27-14-7-8-15-28-16-18-29(19-17-28)21-22-9-3-1-4-10-22/h1-6,9-13,20H,7-8,14-19,21H2,(H,27,30)
InChIKeyRYGCXEIVTCYOIS-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.27
Rot. Bonds9

About N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide

N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide (PubChem CID 55932766) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide
PubChem CID55932766
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1occc1-c1ccccc1
InChIInChI=1S/C26H31N3O2/c30-26(25-24(13-20-31-25)23-11-5-2-6-12-23)27-14-7-8-15-28-16-18-29(19-17-28)21-22-9-3-1-4-10-22/h1-6,9-13,20H,7-8,14-19,21H2,(H,27,30)
InChIKeyRYGCXEIVTCYOIS-UHFFFAOYSA-N
XLogP4.27
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 30885160
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37392558
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902437
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitrobenzamide
CID 55634194
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
1-benzyl-3-[4-(4-benzylpiperazin-1-yl)butyl]-2-methylguanidine
CID 110954076
1-[4-(4-benzylpiperazin-1-yl)butyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975661

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide (CID 55932766) is N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide is O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1occc1-c1ccccc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide?
The InChIKey is RYGCXEIVTCYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c30-26(25-24(13-20-31-25)23-11-5-2-6-12-23)27-14-7-8-15-28-16-18-29(19-17-28)21-22-9-3-1-4-10-22/h1-6,9-13,20H,7-8,14-19,21H2,(H,27,30).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide?
N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 55932766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).