1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

C18H26N2O3S — CID 72904031

IUPAC1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCCSc2ccc(C)cc2)C1
InChIInChI=1S/C18H26N2O3S/c1-14-5-7-16(8-6-14)24-11-9-19-18(22)15-4-3-10-20(12-15)17(21)13-23-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyYOOGBOJDPDXDJK-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.09
Rot. Bonds7

About 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide (PubChem CID 72904031) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
PubChem CID72904031
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCCSc2ccc(C)cc2)C1
InChIInChI=1S/C18H26N2O3S/c1-14-5-7-16(8-6-14)24-11-9-19-18(22)15-4-3-10-20(12-15)17(21)13-23-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyYOOGBOJDPDXDJK-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.09
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

1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72927509
(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 97207631
(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 95119092
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
1-[(3-chlorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43920667
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
1-(dimethylsulfamoyl)-N-[3-(4-methylphenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 70702920
3-(4-methylphenyl)sulfanyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 17187440
(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97274269
1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 51272724

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide (CID 72904031) is 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)NCCSc2ccc(C)cc2)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The InChIKey is YOOGBOJDPDXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-5-7-16(8-6-14)24-11-9-19-18(22)15-4-3-10-20(12-15)17(21)13-23-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72904031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).