N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

C17H27N3O5S — CID 91906272

IUPACN-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3ccco3)CC2)CC1
InChIInChI=1S/C17H27N3O5S/c1-26(22,23)20-10-6-15(7-11-20)25-14-4-8-19(9-5-14)17(21)18-13-16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,18,21)
InChIKeyKAPNVGWHTXILMN-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.39
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91906272) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91906272
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC NameN-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3ccco3)CC2)CC1
InChIInChI=1S/C17H27N3O5S/c1-26(22,23)20-10-6-15(7-11-20)25-14-4-8-19(9-5-14)17(21)18-13-16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,18,21)
InChIKeyKAPNVGWHTXILMN-UHFFFAOYSA-N
XLogP1.39
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
N-(furan-2-ylmethyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181682
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
(5R)-N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 97273108
4-(5-amino-1,2-oxazol-3-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 53146630
(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 70706286
2-(furan-2-ylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 75419046

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91906272) is N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is CS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3ccco3)CC2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is KAPNVGWHTXILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-26(22,23)20-10-6-15(7-11-20)25-14-4-8-19(9-5-14)17(21)18-13-16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91906272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).