1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C17H30N2O3S — CID 75381738

IUPAC1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)C2CCCC2)CC1
InChIInChI=1S/C17H30N2O3S/c1-13(2)18(3)17(21)14-8-10-19(11-9-14)16(20)12-23(22)15-6-4-5-7-15/h13-15H,4-12H2,1-3H3
InChIKeyOKZZNZXBVZPQNV-UHFFFAOYSA-N
MW342.51 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 75381738) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID75381738
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)C2CCCC2)CC1
InChIInChI=1S/C17H30N2O3S/c1-13(2)18(3)17(21)14-8-10-19(11-9-14)16(20)12-23(22)15-6-4-5-7-15/h13-15H,4-12H2,1-3H3
InChIKeyOKZZNZXBVZPQNV-UHFFFAOYSA-N
XLogP1.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid
CID 62657428
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983173
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87012543
1-[2-[(2,2-dimethylcyclopentyl)amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 131963897
1-[2-(3-acetamidopiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87014549
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
2-cyclopentylsulfinyl-1-[4-[(2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164556652
1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78896334
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119733535
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87016849
N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
CID 153039047
1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 91652591

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 75381738) is 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is OKZZNZXBVZPQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-13(2)18(3)17(21)14-8-10-19(11-9-14)16(20)12-23(22)15-6-4-5-7-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75381738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).