5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide

C21H29N3O2 — CID 55861118

IUPAC5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C21H29N3O2/c1-2-19-10-11-20(26-19)21(25)22-12-6-7-13-23-14-16-24(17-15-23)18-8-4-3-5-9-18/h3-5,8-11H,2,6-7,12-17H2,1H3,(H,22,25)
InChIKeyUFQPQNMNWXNTKH-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.17
Rot. Bonds8

About 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide

5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide (PubChem CID 55861118) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
PubChem CID55861118
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C21H29N3O2/c1-2-19-10-11-20(26-19)21(25)22-12-6-7-13-23-14-16-24(17-15-23)18-8-4-3-5-9-18/h3-5,8-11H,2,6-7,12-17H2,1H3,(H,22,25)
InChIKeyUFQPQNMNWXNTKH-UHFFFAOYSA-N
XLogP3.17
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.17
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

5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 43066958
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859714
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
3-[4-[4-(1-benzofuran-2-carbonylamino)butyl]piperazin-1-yl]benzoic acid
CID 11611517
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
CID 55859833
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide (CID 55861118) is 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide is CCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide?
The InChIKey is UFQPQNMNWXNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-19-10-11-20(26-19)21(25)22-12-6-7-13-23-14-16-24(17-15-23)18-8-4-3-5-9-18/h3-5,8-11H,2,6-7,12-17H2,1H3,(H,22,25).
What are the key properties of 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide?
5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide is sourced from PubChem (CID 55861118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).