2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H32N4O2 — CID 87022044

IUPAC2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCC(OCC(C)C)CC1
InChIInChI=1S/C18H32N4O2/c1-12(2)11-24-16-7-9-22(10-8-16)15(5)18(23)19-17-13(3)20-21(6)14(17)4/h12,15-16H,7-11H2,1-6H3,(H,19,23)
InChIKeyFVTUITZNVFXNNW-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.50
Rot. Bonds6

About 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 87022044) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID87022044
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCC(OCC(C)C)CC1
InChIInChI=1S/C18H32N4O2/c1-12(2)11-24-16-7-9-22(10-8-16)15(5)18(23)19-17-13(3)20-21(6)14(17)4/h12,15-16H,7-11H2,1-6H3,(H,19,23)
InChIKeyFVTUITZNVFXNNW-UHFFFAOYSA-N
XLogP2.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 87022044) is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)N1CCC(OCC(C)C)CC1.
What is the InChIKey of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FVTUITZNVFXNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-12(2)11-24-16-7-9-22(10-8-16)15(5)18(23)19-17-13(3)20-21(6)14(17)4/h12,15-16H,7-11H2,1-6H3,(H,19,23).
What are the key properties of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 87022044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).