N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H21N3O4S — CID 119106238

IUPACN-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cncc(-c3ccoc3)c2)CC1
InChIInChI=1S/C17H21N3O4S/c1-25(22,23)20-5-2-14(3-6-20)17(21)19-10-13-8-16(11-18-9-13)15-4-7-24-12-15/h4,7-9,11-12,14H,2-3,5-6,10H2,1H3,(H,19,21)
InChIKeyKABZVBXSDPUIRA-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.63
Rot. Bonds5

About N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 119106238) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID119106238
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cncc(-c3ccoc3)c2)CC1
InChIInChI=1S/C17H21N3O4S/c1-25(22,23)20-5-2-14(3-6-20)17(21)19-10-13-8-16(11-18-9-13)15-4-7-24-12-15/h4,7-9,11-12,14H,2-3,5-6,10H2,1H3,(H,19,21)
InChIKeyKABZVBXSDPUIRA-UHFFFAOYSA-N
XLogP1.63
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
CID 119106241
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106274
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110785482
2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate
CID 119106258
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 122162911
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110319587
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 119106238) is N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2cncc(-c3ccoc3)c2)CC1.
What is the InChIKey of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is KABZVBXSDPUIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-25(22,23)20-5-2-14(3-6-20)17(21)19-10-13-8-16(11-18-9-13)15-4-7-24-12-15/h4,7-9,11-12,14H,2-3,5-6,10H2,1H3,(H,19,21).
What are the key properties of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119106238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).