2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one

C16H27N3O — CID 79065501

IUPAC2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-11-19-14(9-10-17-19)15(20)16(3,5-2)18-12-7-6-8-13-18/h9-10H,4-8,11-13H2,1-3H3
InChIKeyHYVGAXFCWYODJK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.13
Rot. Bonds6

About 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one

2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one (PubChem CID 79065501) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
PubChem CID79065501
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-11-19-14(9-10-17-19)15(20)16(3,5-2)18-12-7-6-8-13-18/h9-10H,4-8,11-13H2,1-3H3
InChIKeyHYVGAXFCWYODJK-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069238
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
CID 79059853
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one (CID 79065501) is 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one is CCCn1nccc1C(=O)C(C)(CC)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one?
The InChIKey is HYVGAXFCWYODJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-11-19-14(9-10-17-19)15(20)16(3,5-2)18-12-7-6-8-13-18/h9-10H,4-8,11-13H2,1-3H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one?
2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 79065501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).