N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride

C15H24ClN3O3 — CID 119390043

IUPACN-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-10(2)13(18-14(19)12-4-3-9-21-12)15(20)17-11-5-7-16-8-6-11;/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyKBRLTYRTTJLCGP-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.32
Rot. Bonds5

About N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride

N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119390043) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119390043
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC NameN-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-10(2)13(18-14(19)12-4-3-9-21-12)15(20)17-11-5-7-16-8-6-11;/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyKBRLTYRTTJLCGP-UHFFFAOYSA-N
XLogP1.32
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119394218
2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
CID 119386986
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 95781275
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575863
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566376
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 51154431

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride (CID 119390043) is N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride is CC(C)C(NC(=O)c1ccco1)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is KBRLTYRTTJLCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c1-10(2)13(18-14(19)12-4-3-9-21-12)15(20)17-11-5-7-16-8-6-11;/h3-4,9-11,13,16H,5-8H2,1-2H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride?
N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119390043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).