N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide

C13H18N2O3 — CID 47080410

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C13H18N2O3/c1-10(16)14(2)12-3-6-15(7-4-12)13(17)11-5-8-18-9-11/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyYGSZEEYOQMSNCI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.36
Rot. Bonds2

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 47080410) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
PubChem CID47080410
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C13H18N2O3/c1-10(16)14(2)12-3-6-15(7-4-12)13(17)11-5-8-18-9-11/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyYGSZEEYOQMSNCI-UHFFFAOYSA-N
XLogP1.36
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
1-(furan-3-carbonyl)-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134059017
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86828642
(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
CID 102962435
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide (CID 47080410) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is YGSZEEYOQMSNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(16)14(2)12-3-6-15(7-4-12)13(17)11-5-8-18-9-11/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 250.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 47080410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).