[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

C18H27N3O2 — CID 168813718

IUPAC[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESNCCCCCN1CCN(C(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C18H27N3O2/c19-8-4-1-5-9-20-10-12-21(13-11-20)18(22)17-14-15-6-2-3-7-16(15)23-17/h2-3,6-7,17H,1,4-5,8-14,19H2
InChIKeyCRUINWLWJVXEIW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.26
Rot. Bonds6

About [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (PubChem CID 168813718) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
PubChem CID168813718
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESNCCCCCN1CCN(C(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C18H27N3O2/c19-8-4-1-5-9-20-10-12-21(13-11-20)18(22)17-14-15-6-2-3-7-16(15)23-17/h2-3,6-7,17H,1,4-5,8-14,19H2
InChIKeyCRUINWLWJVXEIW-UHFFFAOYSA-N
XLogP1.26
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9071498
(4-benzylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 10316388
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496718
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 62061970
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55455781
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 95321755
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9087045
[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687

Frequently Asked Questions

What is the IUPAC name of [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (CID 168813718) is [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is NCCCCCN1CCN(C(=O)C2Cc3ccccc3O2)CC1.
What is the InChIKey of [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The InChIKey is CRUINWLWJVXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c19-8-4-1-5-9-20-10-12-21(13-11-20)18(22)17-14-15-6-2-3-7-16(15)23-17/h2-3,6-7,17H,1,4-5,8-14,19H2.
What are the key properties of [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 168813718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).