N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide

C12H16N2O3 — CID 110865978

IUPACN-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(=O)c2ccco2)CC1
InChIInChI=1S/C12H16N2O3/c1-9-4-6-14(7-5-9)12(16)13-11(15)10-3-2-8-17-10/h2-3,8-9H,4-7H2,1H3,(H,13,15,16)
InChIKeyKLBGSDLSKRHZOD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.86
Rot. Bonds1

About N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide

N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide (PubChem CID 110865978) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
PubChem CID110865978
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(=O)c2ccco2)CC1
InChIInChI=1S/C12H16N2O3/c1-9-4-6-14(7-5-9)12(16)13-11(15)10-3-2-8-17-10/h2-3,8-9H,4-7H2,1H3,(H,13,15,16)
InChIKeyKLBGSDLSKRHZOD-UHFFFAOYSA-N
XLogP1.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4939517
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide
CID 162923536
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 7734234
N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide (CID 110865978) is N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(=O)c2ccco2)CC1.
What is the InChIKey of N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is KLBGSDLSKRHZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-4-6-14(7-5-9)12(16)13-11(15)10-3-2-8-17-10/h2-3,8-9H,4-7H2,1H3,(H,13,15,16).
What are the key properties of N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide?
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 110865978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).