1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide

C17H24N2O2S — CID 110794531

IUPAC1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCCSc1ccc(CNC(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-3-22-16-6-4-14(5-7-16)12-18-17(21)15-8-10-19(11-9-15)13(2)20/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyNZHGJVWRKMMCIB-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.67
Rot. Bonds5

About 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110794531) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110794531
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCCSc1ccc(CNC(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-3-22-16-6-4-14(5-7-16)12-18-17(21)15-8-10-19(11-9-15)13(2)20/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyNZHGJVWRKMMCIB-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564
1-acetyl-N-[(4-cyclopentyloxyphenyl)methyl]piperidine-4-carboxamide
CID 110793800
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
1-acetyl-N-[(6-cyclopropyl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134160793
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
CID 86935077
tert-butyl 4-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 40707660
1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
CID 110793835
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55900486
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide (CID 110794531) is 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide is CCSc1ccc(CNC(=O)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NZHGJVWRKMMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-22-16-6-4-14(5-7-16)12-18-17(21)15-8-10-19(11-9-15)13(2)20/h4-7,15H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110794531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).