[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

C13H21N3O2 — CID 40805287

IUPAC[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C13H21N3O2/c1-9-5-10(2)7-16(6-9)13(17)11-8-15(3)14-12(11)18-4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyUQAOYTUHYBARJM-UWVGGRQHSA-N
MW251.33 g/mol
LogP1.55
Rot. Bonds2

About [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 40805287) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID40805287
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C13H21N3O2/c1-9-5-10(2)7-16(6-9)13(17)11-8-15(3)14-12(11)18-4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyUQAOYTUHYBARJM-UWVGGRQHSA-N
XLogP1.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 121141365
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71783270
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 99903022
(3-methoxy-1-methylpyrazol-4-yl)-(3-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 131703866
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 903263
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639162
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 40805287) is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is UQAOYTUHYBARJM-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-5-10(2)7-16(6-9)13(17)11-8-15(3)14-12(11)18-4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 40805287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).