N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide

C16H24N4O2 — CID 136527946

IUPACN-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1
InChIInChI=1S/C16H24N4O2/c1-11(21)17-10-12-5-7-20(8-6-12)16(22)14-9-15(13-3-4-13)19(2)18-14/h9,12-13H,3-8,10H2,1-2H3,(H,17,21)
InChIKeyMTHWXDFKCHMZFJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.29
Rot. Bonds4

About N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide

N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 136527946) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID136527946
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1
InChIInChI=1S/C16H24N4O2/c1-11(21)17-10-12-5-7-20(8-6-12)16(22)14-9-15(13-3-4-13)19(2)18-14/h9,12-13H,3-8,10H2,1-2H3,(H,17,21)
InChIKeyMTHWXDFKCHMZFJ-UHFFFAOYSA-N
XLogP1.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide (CID 136527946) is N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1.
What is the InChIKey of N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is MTHWXDFKCHMZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(21)17-10-12-5-7-20(8-6-12)16(22)14-9-15(13-3-4-13)19(2)18-14/h9,12-13H,3-8,10H2,1-2H3,(H,17,21).
What are the key properties of N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 136527946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).