N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide

C27H29N3O2 — CID 122183773

IUPACN-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2o1
InChIInChI=1S/C27H29N3O2/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
InChIKeyRDRRNTYOUDJHNF-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.92
Rot. Bonds7

About N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide

N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide (PubChem CID 122183773) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
PubChem CID122183773
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2o1
InChIInChI=1S/C27H29N3O2/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
InChIKeyRDRRNTYOUDJHNF-UHFFFAOYSA-N
XLogP4.92
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.92
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

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 9980998
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 9982854
N-[2-(4-Benzofuran-7-yl-piperazin-1-yl)-ethyl]-4-fluoro-benzamide
CID 9999042
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide (CID 122183773) is N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide is O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
The InChIKey is RDRRNTYOUDJHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31).
What are the key properties of N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122183773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).