1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone

C20H27N3O2 — CID 146132579

IUPAC1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1CC(=O)N1CCC(c2ccnn2C)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)25-19-7-5-4-6-17(19)14-20(24)23-12-9-16(10-13-23)18-8-11-21-22(18)3/h4-8,11,15-16H,9-10,12-14H2,1-3H3
InChIKeyCHYFTFKCKDRYHD-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone

1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone (PubChem CID 146132579) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
PubChem CID146132579
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1CC(=O)N1CCC(c2ccnn2C)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)25-19-7-5-4-6-17(19)14-20(24)23-12-9-16(10-13-23)18-8-11-21-22(18)3/h4-8,11,15-16H,9-10,12-14H2,1-3H3
InChIKeyCHYFTFKCKDRYHD-UHFFFAOYSA-N
XLogP3.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 119934244
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124611306
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride
CID 119873963
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119946982
1-(2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl)-2-(2-propan-2-yloxyphenyl)ethanone
CID 56791671
2-(2-propan-2-yloxyphenyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736686
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 136527045

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone (CID 146132579) is 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccccc1CC(=O)N1CCC(c2ccnn2C)CC1.
What is the InChIKey of 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The InChIKey is CHYFTFKCKDRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)25-19-7-5-4-6-17(19)14-20(24)23-12-9-16(10-13-23)18-8-11-21-22(18)3/h4-8,11,15-16H,9-10,12-14H2,1-3H3.
What are the key properties of 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone has a molecular weight of 341.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 146132579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).