1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide

C17H26N2O2S — CID 72881872

IUPAC1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(Cc2ccco2)C1)C1CCSCC1
InChIInChI=1S/C17H26N2O2S/c1-18(15-6-10-22-11-7-15)17(20)14-4-2-8-19(12-14)13-16-5-3-9-21-16/h3,5,9,14-15H,2,4,6-8,10-13H2,1H3
InChIKeyXHRWZQRPDKQTQD-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.85
Rot. Bonds4

About 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide

1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide (PubChem CID 72881872) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide
PubChem CID72881872
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(Cc2ccco2)C1)C1CCSCC1
InChIInChI=1S/C17H26N2O2S/c1-18(15-6-10-22-11-7-15)17(20)14-4-2-8-19(12-14)13-16-5-3-9-21-16/h3,5,9,14-15H,2,4,6-8,10-13H2,1H3
InChIKeyXHRWZQRPDKQTQD-UHFFFAOYSA-N
XLogP2.85
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide
CID 99940335
1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 131895344
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97284250
1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
CID 46991870
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136578968
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97281855

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide (CID 72881872) is 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide is CN(C(=O)C1CCCN(Cc2ccco2)C1)C1CCSCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide?
The InChIKey is XHRWZQRPDKQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18(15-6-10-22-11-7-15)17(20)14-4-2-8-19(12-14)13-16-5-3-9-21-16/h3,5,9,14-15H,2,4,6-8,10-13H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 72881872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).