1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide

C20H24N2O3S — CID 3437366

IUPAC1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccco1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-19(21-10-14-26-15-18-7-4-13-25-18)16-8-11-22(12-9-16)20(24)17-5-2-1-3-6-17/h1-7,13,16H,8-12,14-15H2,(H,21,23)
InChIKeyNYQKACUYRMTGIG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.18
Rot. Bonds7

About 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide

1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide (PubChem CID 3437366) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
PubChem CID3437366
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccco1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-19(21-10-14-26-15-18-7-4-13-25-18)16-8-11-22(12-9-16)20(24)17-5-2-1-3-6-17/h1-7,13,16H,8-12,14-15H2,(H,21,23)
InChIKeyNYQKACUYRMTGIG-UHFFFAOYSA-N
XLogP3.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970113
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45006705
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
1-[(4-bromophenyl)methylsulfonyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 92683691
1-benzyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4803608
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
1-[(3-ethoxyphenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 43922720
(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide
CID 97454873
1-[(2,6-dichlorophenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 43922708
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 39969578
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide (CID 3437366) is 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide is O=C(NCCSCc1ccco1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide?
The InChIKey is NYQKACUYRMTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-19(21-10-14-26-15-18-7-4-13-25-18)16-8-11-22(12-9-16)20(24)17-5-2-1-3-6-17/h1-7,13,16H,8-12,14-15H2,(H,21,23).
What are the key properties of 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide?
1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3437366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).