N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine

C15H21N3O — CID 115230477

IUPACN-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
SMILESc1ccc2c(NCCCN3CCNCC3)coc2c1
InChIInChI=1S/C15H21N3O/c1-2-5-15-13(4-1)14(12-19-15)17-6-3-9-18-10-7-16-8-11-18/h1-2,4-5,12,16-17H,3,6-11H2
InChIKeyOUVZRKKEDJYCTD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.14
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine

N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine (PubChem CID 115230477) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
PubChem CID115230477
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
SMILESc1ccc2c(NCCCN3CCNCC3)coc2c1
InChIInChI=1S/C15H21N3O/c1-2-5-15-13(4-1)14(12-19-15)17-6-3-9-18-10-7-16-8-11-18/h1-2,4-5,12,16-17H,3,6-11H2
InChIKeyOUVZRKKEDJYCTD-UHFFFAOYSA-N
XLogP2.14
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)quinolin-4-amine
CID 61339738
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164
1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine
CID 116840474
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
CID 115230458
2-(1,2-benzoxazol-3-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394354
4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride
CID 119994715
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322
[(E)-2-(1-benzofuran-3-yl)-1-(3-piperazin-1-ylpropanoylamino)ethenyl]boronic acid
CID 163765947
5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 107286817

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine (CID 115230477) is N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine is c1ccc2c(NCCCN3CCNCC3)coc2c1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine?
The InChIKey is OUVZRKKEDJYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-5-15-13(4-1)14(12-19-15)17-6-3-9-18-10-7-16-8-11-18/h1-2,4-5,12,16-17H,3,6-11H2.
What are the key properties of N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine?
N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine has a molecular weight of 259.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine is sourced from PubChem (CID 115230477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).