N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide

C18H20N2O3 — CID 146142207

IUPACN-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)NCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-20-15(4-2-6-17(20)21)18(22)19-12-13-7-9-14(10-8-13)16-5-3-11-23-16/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,19,22)
InChIKeyFBLRIDFSUXYGHG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds4

About N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide

N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 146142207) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID146142207
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)NCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-20-15(4-2-6-17(20)21)18(22)19-12-13-7-9-14(10-8-13)16-5-3-11-23-16/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,19,22)
InChIKeyFBLRIDFSUXYGHG-UHFFFAOYSA-N
XLogP2.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146138350
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate
CID 101272344
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
4-benzyl-N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 174245391
N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-(pyrimidin-2-ylmethyl)piperazine-2-carboxamide
CID 171625939
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
N-[[3-(furan-2-yl)phenyl]methyl]cyclohexanecarboxamide
CID 66990891
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 146142207) is N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide is CN1C(=O)CCCC1C(=O)NCc1ccc(-c2ccco2)cc1.
What is the InChIKey of N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is FBLRIDFSUXYGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20-15(4-2-6-17(20)21)18(22)19-12-13-7-9-14(10-8-13)16-5-3-11-23-16/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,19,22).
What are the key properties of N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146142207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).