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

C14H22ClN3O3 — CID 120572709

IUPACN-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride
SMILESCC1NCCN(C(=O)CCNC(=O)c2ccco2)C1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10-11(2)17(8-7-15-10)13(18)5-6-16-14(19)12-4-3-9-20-12;/h3-4,9-11,15H,5-8H2,1-2H3,(H,16,19);1H
InChIKeyXYINWDDGJFHMOY-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.03
Rot. Bonds4

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

N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride (PubChem CID 120572709) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride
PubChem CID120572709
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride
SMILESCC1NCCN(C(=O)CCNC(=O)c2ccco2)C1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10-11(2)17(8-7-15-10)13(18)5-6-16-14(19)12-4-3-9-20-12;/h3-4,9-11,15H,5-8H2,1-2H3,(H,16,19);1H
InChIKeyXYINWDDGJFHMOY-UHFFFAOYSA-N
XLogP1.03
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 120573193
methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 43409956
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119649101
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;hydrochloride
CID 120570517
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]furan-2-carboxamide
CID 120657817
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120571953
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
3-(furan-2-carbonylamino)propanoic acid
CID 762504
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride (CID 120572709) is N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride is CC1NCCN(C(=O)CCNC(=O)c2ccco2)C1C.Cl.
What is the InChIKey of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The InChIKey is XYINWDDGJFHMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-10-11(2)17(8-7-15-10)13(18)5-6-16-14(19)12-4-3-9-20-12;/h3-4,9-11,15H,5-8H2,1-2H3,(H,16,19);1H.
What are the key properties of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride?
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120572709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).