(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

C18H26N2OS — CID 51966370

IUPAC(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1
InChIInChI=1S/C18H26N2OS/c1-13-10-14(2)12-20(11-13)18(21)16-8-5-9-19-17(16)22-15-6-3-4-7-15/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3/t13-,14+
InChIKeyFLKQCNZUYRLMDP-OKILXGFUSA-N
MW318.49 g/mol
LogP4.23
Rot. Bonds3

About (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 51966370) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID51966370
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1
InChIInChI=1S/C18H26N2OS/c1-13-10-14(2)12-20(11-13)18(21)16-8-5-9-19-17(16)22-15-6-3-4-7-15/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3/t13-,14+
InChIKeyFLKQCNZUYRLMDP-OKILXGFUSA-N
XLogP4.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55911702
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
(2-cyclopentylsulfanyl-3-pyridinyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 55881407
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 51191560
(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872247
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 39902934

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 51966370) is (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1.
What is the InChIKey of (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is FLKQCNZUYRLMDP-OKILXGFUSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-13-10-14(2)12-20(11-13)18(21)16-8-5-9-19-17(16)22-15-6-3-4-7-15/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3/t13-,14+.
What are the key properties of (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 318.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 51966370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).