3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one

C15H25N3O — CID 114500471

IUPAC3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
SMILESCCC(CC)n1ccc(CN2CCC(=O)C(C)C2)n1
InChIInChI=1S/C15H25N3O/c1-4-14(5-2)18-9-6-13(16-18)11-17-8-7-15(19)12(3)10-17/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyJKFJRDWRHKYKCS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds5

About 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one

3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one (PubChem CID 114500471) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
PubChem CID114500471
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
SMILESCCC(CC)n1ccc(CN2CCC(=O)C(C)C2)n1
InChIInChI=1S/C15H25N3O/c1-4-14(5-2)18-9-6-13(16-18)11-17-8-7-15(19)12(3)10-17/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyJKFJRDWRHKYKCS-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64785595
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783458
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-one
CID 106468639
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 64779447
(3S)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-4-one
CID 129481804
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one
CID 64777692
1-benzyl-3-methylpiperidin-4-one
CID 560965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one?
The IUPAC name of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one (CID 114500471) is 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one is CCC(CC)n1ccc(CN2CCC(=O)C(C)C2)n1.
What is the InChIKey of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one?
The InChIKey is JKFJRDWRHKYKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-14(5-2)18-9-6-13(16-18)11-17-8-7-15(19)12(3)10-17/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one?
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 114500471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).