(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide

C18H28N2O3S — CID 95875273

IUPAC(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-4-24(22,23)20-12-8-11-16(14-20)17(21)19-18(2,3)13-15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-14H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyWKDFEQTUKQUKCR-MRXNPFEDSA-N
MW352.50 g/mol
LogP2.19
Rot. Bonds6

About (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide

(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide (PubChem CID 95875273) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide
PubChem CID95875273
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-4-24(22,23)20-12-8-11-16(14-20)17(21)19-18(2,3)13-15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-14H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyWKDFEQTUKQUKCR-MRXNPFEDSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 95875444
N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56922786
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide
CID 126797972
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5007860
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide (CID 95875273) is (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide?
The InChIKey is WKDFEQTUKQUKCR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-24(22,23)20-12-8-11-16(14-20)17(21)19-18(2,3)13-15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-14H2,1-3H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide?
(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95875273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).