N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C16H25N3O4S — CID 3463565

IUPACN-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H25N3O4S/c20-16(17-13-15-5-4-12-23-15)14-6-10-19(11-7-14)24(21,22)18-8-2-1-3-9-18/h4-5,12,14H,1-3,6-11,13H2,(H,17,20)
InChIKeyCJOWZXWQUSZDNX-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.34
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3463565) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3463565
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H25N3O4S/c20-16(17-13-15-5-4-12-23-15)14-6-10-19(11-7-14)24(21,22)18-8-2-1-3-9-18/h4-5,12,14H,1-3,6-11,13H2,(H,17,20)
InChIKeyCJOWZXWQUSZDNX-UHFFFAOYSA-N
XLogP1.34
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4095522
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 22429355
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1456683

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3463565) is N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CJOWZXWQUSZDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c20-16(17-13-15-5-4-12-23-15)14-6-10-19(11-7-14)24(21,22)18-8-2-1-3-9-18/h4-5,12,14H,1-3,6-11,13H2,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3463565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).