N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride

C14H22ClN3O3 — CID 120557066

IUPACN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccoc1)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-9-7-15-5-3-12(9)17-13(18)10(2)16-14(19)11-4-6-20-8-11;/h4,6,8-10,12,15H,3,5,7H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeySLMJVSUWOAUPIH-UHFFFAOYSA-N
MW315.80 g/mol
LogP0.93
Rot. Bonds4

About N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride

N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (PubChem CID 120557066) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
PubChem CID120557066
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccoc1)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-9-7-15-5-3-12(9)17-13(18)10(2)16-14(19)11-4-6-20-8-11;/h4,6,8-10,12,15H,3,5,7H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeySLMJVSUWOAUPIH-UHFFFAOYSA-N
XLogP0.93
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 119441351
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120557334
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120557148
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (CID 120557066) is N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is CC(NC(=O)c1ccoc1)C(=O)NC1CCNCC1C.Cl.
What is the InChIKey of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The InChIKey is SLMJVSUWOAUPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-9-7-15-5-3-12(9)17-13(18)10(2)16-14(19)11-4-6-20-8-11;/h4,6,8-10,12,15H,3,5,7H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 120557066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).