2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C13H21N3O2 — CID 95848502

IUPAC2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@](C)(c2[nH]ncc2C)C1
InChIInChI=1S/C13H21N3O2/c1-10-7-14-15-12(10)13(2)5-4-6-16(9-13)11(17)8-18-3/h7H,4-6,8-9H2,1-3H3,(H,14,15)/t13-/m0/s1
InChIKeyTYLMMGYAPNRLBW-ZDUSSCGKSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds3

About 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 95848502) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID95848502
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@](C)(c2[nH]ncc2C)C1
InChIInChI=1S/C13H21N3O2/c1-10-7-14-15-12(10)13(2)5-4-6-16(9-13)11(17)8-18-3/h7H,4-6,8-9H2,1-3H3,(H,14,15)/t13-/m0/s1
InChIKeyTYLMMGYAPNRLBW-ZDUSSCGKSA-N
XLogP1.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848592
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95848612
2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95817389
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
N-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
CID 104620563
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110272338
5-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848600
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848569
6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
5-[3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110272365

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 95848502) is 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@](C)(c2[nH]ncc2C)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is TYLMMGYAPNRLBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-7-14-15-12(10)13(2)5-4-6-16(9-13)11(17)8-18-3/h7H,4-6,8-9H2,1-3H3,(H,14,15)/t13-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95848502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).