N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide

C17H27N3O3 — CID 119398584

IUPACN-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCNCC1CCCN(C(=O)C(NC(=O)c2ccco2)C(C)C)C1
InChIInChI=1S/C17H27N3O3/c1-12(2)15(19-16(21)14-7-5-9-23-14)17(22)20-8-4-6-13(11-20)10-18-3/h5,7,9,12-13,15,18H,4,6,8,10-11H2,1-3H3,(H,19,21)
InChIKeyAHQUHLNTHULLHT-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.49
Rot. Bonds6

About N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide

N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 119398584) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID119398584
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCNCC1CCCN(C(=O)C(NC(=O)c2ccco2)C(C)C)C1
InChIInChI=1S/C17H27N3O3/c1-12(2)15(19-16(21)14-7-5-9-23-14)17(22)20-8-4-6-13(11-20)10-18-3/h5,7,9,12-13,15,18H,4,6,8,10-11H2,1-3H3,(H,19,21)
InChIKeyAHQUHLNTHULLHT-UHFFFAOYSA-N
XLogP1.49
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide;hydrochloride
CID 119546608
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119397586
2-methoxy-N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119394766
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
(3R,4R)-4-cyclopropyl-1-[2-(furan-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 120979628
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 120814575
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
2-fluoro-N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 119394799
N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 43042153
cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 51491143
N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 115775311

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide (CID 119398584) is N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide is CNCC1CCCN(C(=O)C(NC(=O)c2ccco2)C(C)C)C1.
What is the InChIKey of N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is AHQUHLNTHULLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)15(19-16(21)14-7-5-9-23-14)17(22)20-8-4-6-13(11-20)10-18-3/h5,7,9,12-13,15,18H,4,6,8,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide?
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119398584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).