N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

C15H22N2O3 — CID 108958739

IUPACN-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-15(2,14(19)17-8-4-3-5-9-17)13(18)16-11-12-7-6-10-20-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyNWWNJDAKXFLQOO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.93
Rot. Bonds4

About N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108958739) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108958739
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-15(2,14(19)17-8-4-3-5-9-17)13(18)16-11-12-7-6-10-20-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyNWWNJDAKXFLQOO-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxopropanamide
CID 108961363
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
CID 2975846
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961477
4-acetyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 3868005
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (CID 108958739) is N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is CC(C)(C(=O)NCc1ccco1)C(=O)N1CCCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is NWWNJDAKXFLQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,14(19)17-8-4-3-5-9-17)13(18)16-11-12-7-6-10-20-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108958739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).