(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide

C15H23N3O3S — CID 97454873

IUPAC(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccco2)C1
InChIInChI=1S/C15H23N3O3S/c16-15(20)18-7-1-4-12(10-18)14(19)17-6-3-9-22-11-13-5-2-8-21-13/h2,5,8,12H,1,3-4,6-7,9-11H2,(H2,16,20)(H,17,19)/t12-/m1/s1
InChIKeyCIMMWZCXUZGOPG-GFCCVEGCSA-N
MW325.43 g/mol
LogP1.81
Rot. Bonds7

About (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide (PubChem CID 97454873) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide
PubChem CID97454873
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccco2)C1
InChIInChI=1S/C15H23N3O3S/c16-15(20)18-7-1-4-12(10-18)14(19)17-6-3-9-22-11-13-5-2-8-21-13/h2,5,8,12H,1,3-4,6-7,9-11H2,(H2,16,20)(H,17,19)/t12-/m1/s1
InChIKeyCIMMWZCXUZGOPG-GFCCVEGCSA-N
XLogP1.81
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.81
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

3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 70769016
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970113
(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 97145050
N-[3-(furan-2-ylmethylsulfanyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 74238584
1-[(2,6-dichlorophenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 43922708
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 39969578
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-3-carboxamide
CID 43931847
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 33345459
3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198
(3S,5R)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133109656
1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 3437366
(3S)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137222493

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide (CID 97454873) is (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccco2)C1.
What is the InChIKey of (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is CIMMWZCXUZGOPG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3S/c16-15(20)18-7-1-4-12(10-18)14(19)17-6-3-9-22-11-13-5-2-8-21-13/h2,5,8,12H,1,3-4,6-7,9-11H2,(H2,16,20)(H,17,19)/t12-/m1/s1.
What are the key properties of (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97454873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).