1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

C19H25N3O2 — CID 95978642

IUPAC1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)17-8-6-10-21(13-17)19(23)12-16-7-4-5-9-18(16)24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3/t17-/m0/s1
InChIKeyFMKJGOYZDCUXMF-KRWDZBQOSA-N
MW327.43 g/mol
LogP2.91
Rot. Bonds4

About 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 95978642) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID95978642
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)17-8-6-10-21(13-17)19(23)12-16-7-4-5-9-18(16)24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3/t17-/m0/s1
InChIKeyFMKJGOYZDCUXMF-KRWDZBQOSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95736870
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
ethyl 4-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45209996
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 95351896
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95609115
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95293526
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125020938
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95606708
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 95978642) is 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCC[C@H](n2nc(C)cc2C)C1.
What is the InChIKey of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is FMKJGOYZDCUXMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-11-15(2)22(20-14)17-8-6-10-21(13-17)19(23)12-16-7-4-5-9-18(16)24-3/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 95978642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).