(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide

C18H27N3O2S — CID 125140514

IUPAC(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
SMILESC[S@](=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCC1
InChIInChI=1S/C18H27N3O2S/c1-24(23)18(10-6-11-18)14-19-17(22)21-12-5-9-16(13-21)20-15-7-3-2-4-8-15/h2-4,7-8,16,20H,5-6,9-14H2,1H3,(H,19,22)/t16-,24+/m1/s1
InChIKeyONBTXBCGRHDSMS-GYCJOSAFSA-N
MW349.50 g/mol
LogP2.57
Rot. Bonds5

About (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide

(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide (PubChem CID 125140514) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
PubChem CID125140514
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
SMILESC[S@](=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCC1
InChIInChI=1S/C18H27N3O2S/c1-24(23)18(10-6-11-18)14-19-17(22)21-12-5-9-16(13-21)20-15-7-3-2-4-8-15/h2-4,7-8,16,20H,5-6,9-14H2,1H3,(H,19,22)/t16-,24+/m1/s1
InChIKeyONBTXBCGRHDSMS-GYCJOSAFSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140570
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887441
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887439
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 42460035
(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97228827
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 136516150
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide
CID 126769031
2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide
CID 128731265
(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone
CID 125140951

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide (CID 125140514) is (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide is C[S@](=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCC1.
What is the InChIKey of (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The InChIKey is ONBTXBCGRHDSMS-GYCJOSAFSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-24(23)18(10-6-11-18)14-19-17(22)21-12-5-9-16(13-21)20-15-7-3-2-4-8-15/h2-4,7-8,16,20H,5-6,9-14H2,1H3,(H,19,22)/t16-,24+/m1/s1.
What are the key properties of (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide?
(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125140514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).