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

C13H22N4O — CID 55105252

IUPAC2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CC1CCCNC1
InChIInChI=1S/C13H22N4O/c1-9-13(10(2)17(3)16-9)15-12(18)7-11-5-4-6-14-8-11/h11,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyLDHGPHJRBQKGMI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds3

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

2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 55105252) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID55105252
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CC1CCCNC1
InChIInChI=1S/C13H22N4O/c1-9-13(10(2)17(3)16-9)15-12(18)7-11-5-4-6-14-8-11/h11,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyLDHGPHJRBQKGMI-UHFFFAOYSA-N
XLogP1.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688873
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62676677
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 80520060
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
N-(6-fluoro-2-pyridinyl)-2-piperidin-3-ylacetamide
CID 116813334
2-piperidin-3-yl-N-(1,2,4-triazin-3-yl)acetamide
CID 114387894
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 102683223
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 55105252) is 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CC1CCCNC1.
What is the InChIKey of 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is LDHGPHJRBQKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-13(10(2)17(3)16-9)15-12(18)7-11-5-4-6-14-8-11/h11,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 55105252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).