N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide

C15H24N2O2S — CID 72859219

IUPACN-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCCCSCc2ccco2)CCNCC1
InChIInChI=1S/C15H24N2O2S/c1-15(5-8-16-9-6-15)14(18)17-7-3-11-20-12-13-4-2-10-19-13/h2,4,10,16H,3,5-9,11-12H2,1H3,(H,17,18)
InChIKeyHOHCXDZZPUFIRN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.41
Rot. Bonds7

About N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide

N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide (PubChem CID 72859219) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide
PubChem CID72859219
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCCCSCc2ccco2)CCNCC1
InChIInChI=1S/C15H24N2O2S/c1-15(5-8-16-9-6-15)14(18)17-7-3-11-20-12-13-4-2-10-19-13/h2,4,10,16H,3,5-9,11-12H2,1H3,(H,17,18)
InChIKeyHOHCXDZZPUFIRN-UHFFFAOYSA-N
XLogP2.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
N-[3-(furan-2-ylmethylsulfanyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 74238584
4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol
CID 81041028
1-(2,3-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607945
N-(4-hydroxybutyl)-4-methylpiperidine-4-carboxamide
CID 106842133
4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 79749001
2-tert-butyl-N-[3-(furan-2-ylmethylsulfanyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70734413
4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 63122628
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607944
(3S,5R)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133109656
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide (CID 72859219) is N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)NCCCSCc2ccco2)CCNCC1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is HOHCXDZZPUFIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(5-8-16-9-6-15)14(18)17-7-3-11-20-12-13-4-2-10-19-13/h2,4,10,16H,3,5-9,11-12H2,1H3,(H,17,18).
What are the key properties of N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide?
N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 72859219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).