N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride

C18H22ClN3O3 — CID 120570517

IUPACN-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
SMILESCC1NCCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C1C.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-12-13(2)21(9-8-19-12)18(23)14-5-3-6-15(11-14)20-17(22)16-7-4-10-24-16;/h3-7,10-13,19H,8-9H2,1-2H3,(H,20,22);1H
InChIKeyAHIAWECNPQMUEM-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.78
Rot. Bonds3

About N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride

N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 120570517) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
PubChem CID120570517
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
SMILESCC1NCCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C1C.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-12-13(2)21(9-8-19-12)18(23)14-5-3-6-15(11-14)20-17(22)16-7-4-10-24-16;/h3-7,10-13,19H,8-9H2,1-2H3,(H,20,22);1H
InChIKeyAHIAWECNPQMUEM-UHFFFAOYSA-N
XLogP2.78
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120570628
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CID 120569899
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
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CID 78793816
N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 120573193
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 120572709
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
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CID 51179863

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride (CID 120570517) is N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride is CC1NCCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C1C.Cl.
What is the InChIKey of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is AHIAWECNPQMUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-12-13(2)21(9-8-19-12)18(23)14-5-3-6-15(11-14)20-17(22)16-7-4-10-24-16;/h3-7,10-13,19H,8-9H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride?
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120570517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).