1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C13H21N3O — CID 60705889

IUPAC1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O/c1-10-12(11(2)15(3)14-10)9-13(17)16-7-5-4-6-8-16/h4-9H2,1-3H3
InChIKeyXKSJIGABIHGYKN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds2

About 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 60705889) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID60705889
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O/c1-10-12(11(2)15(3)14-10)9-13(17)16-7-5-4-6-8-16/h4-9H2,1-3H3
InChIKeyXKSJIGABIHGYKN-UHFFFAOYSA-N
XLogP1.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
1-(1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110834074
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 36515196
4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,4-diazepan-2-one
CID 62897203
2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 47016420
5-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 122117892
2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612727
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 119518527
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124963134
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56819123
1-(2-methylmorpholin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43041355

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 60705889) is 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is XKSJIGABIHGYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-12(11(2)15(3)14-10)9-13(17)16-7-5-4-6-8-16/h4-9H2,1-3H3.
What are the key properties of 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 60705889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).