N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide

C15H22N2O3 — CID 47073768

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)9-14(18)17-6-3-13(4-7-17)16-15(19)12-5-8-20-10-12/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,16,19)
InChIKeyCQXGQAIGNOVYDX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 47073768) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID47073768
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)9-14(18)17-6-3-13(4-7-17)16-15(19)12-5-8-20-10-12/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,16,19)
InChIKeyCQXGQAIGNOVYDX-UHFFFAOYSA-N
XLogP2.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-[(2R)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]furan-3-carboxamide
CID 94200129
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
CID 51965104
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]furan-3-carboxamide
CID 95905163
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
N-(4-oxocyclohexyl)furan-3-carboxamide
CID 43652764

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide (CID 47073768) is N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide is CC(C)CC(=O)N1CCC(NC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide?
The InChIKey is CQXGQAIGNOVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)9-14(18)17-6-3-13(4-7-17)16-15(19)12-5-8-20-10-12/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 47073768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).