N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

C14H22ClN3O3 — CID 120573193

IUPACN-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-9-11(3)17(7-6-15-9)14(19)10(2)16-13(18)12-5-4-8-20-12;/h4-5,8-11,15H,6-7H2,1-3H3,(H,16,18);1H
InChIKeyQJRABIPVZOYBNE-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.03
Rot. Bonds3

About N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 120573193) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID120573193
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-9-11(3)17(7-6-15-9)14(19)10(2)16-13(18)12-5-4-8-20-12;/h4-5,8-11,15H,6-7H2,1-3H3,(H,16,18);1H
InChIKeyQJRABIPVZOYBNE-UHFFFAOYSA-N
XLogP1.03
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 120572709
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
CID 120570517
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144159
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide
CID 94443674
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 115775311
N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 134045047
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (CID 120573193) is N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is CC(NC(=O)c1ccco1)C(=O)N1CCNC(C)C1C.Cl.
What is the InChIKey of N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is QJRABIPVZOYBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-9-11(3)17(7-6-15-9)14(19)10(2)16-13(18)12-5-4-8-20-12;/h4-5,8-11,15H,6-7H2,1-3H3,(H,16,18);1H.
What are the key properties of N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120573193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).