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

C14H22ClN3O3 — CID 119441351

IUPACN-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccoc1)C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10(16-13(18)11-5-8-20-9-11)14(19)17(2)12-3-6-15-7-4-12;/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,16,18);1H
InChIKeyUPEJOUNGNZXJIA-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.03
Rot. Bonds4

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

N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (PubChem CID 119441351) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
PubChem CID119441351
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccoc1)C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10(16-13(18)11-5-8-20-9-11)14(19)17(2)12-3-6-15-7-4-12;/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,16,18);1H
InChIKeyUPEJOUNGNZXJIA-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-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120557066
2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 119443872
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid
CID 119227974
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 119553991
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119631111
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 47342208
N-[(2R)-1-[[(3R)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196077

Frequently Asked Questions

What is the IUPAC name of N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (CID 119441351) is N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is CC(NC(=O)c1ccoc1)C(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The InChIKey is UPEJOUNGNZXJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-10(16-13(18)11-5-8-20-9-11)14(19)17(2)12-3-6-15-7-4-12;/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-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-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 119441351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).