2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide

C13H20ClN3O2 — CID 106686542

IUPAC2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2/c1-16-6-8-17(9-7-16)5-2-4-15-13(18)11-3-10-19-12(11)14/h3,10H,2,4-9H2,1H3,(H,15,18)
InChIKeyZEOKEXGQWSFLMS-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.30
Rot. Bonds5

About 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide

2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide (PubChem CID 106686542) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
PubChem CID106686542
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2/c1-16-6-8-17(9-7-16)5-2-4-15-13(18)11-3-10-19-12(11)14/h3,10H,2,4-9H2,1H3,(H,15,18)
InChIKeyZEOKEXGQWSFLMS-UHFFFAOYSA-N
XLogP1.30
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.30
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

2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
CID 106687134
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide (CID 106686542) is 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide is CN1CCN(CCCNC(=O)c2ccoc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide?
The InChIKey is ZEOKEXGQWSFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-16-6-8-17(9-7-16)5-2-4-15-13(18)11-3-10-19-12(11)14/h3,10H,2,4-9H2,1H3,(H,15,18).
What are the key properties of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide?
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide is sourced from PubChem (CID 106686542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).