3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C23H38N4O3 — CID 45201987

IUPAC3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(CCC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C23H38N4O3/c1-4-27-21(15-19(25-27)14-17(2)3)23(29)26-11-9-18(10-12-26)7-8-22(28)24-16-20-6-5-13-30-20/h15,17-18,20H,4-14,16H2,1-3H3,(H,24,28)
InChIKeyBZFGYCJHTNLARW-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.03
Rot. Bonds9

About 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 45201987) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID45201987
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC Name3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(CCC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C23H38N4O3/c1-4-27-21(15-19(25-27)14-17(2)3)23(29)26-11-9-18(10-12-26)7-8-22(28)24-16-20-6-5-13-30-20/h15,17-18,20H,4-14,16H2,1-3H3,(H,24,28)
InChIKeyBZFGYCJHTNLARW-UHFFFAOYSA-N
XLogP3.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 45201987) is 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is CCn1nc(CC(C)C)cc1C(=O)N1CCC(CCC(=O)NCC2CCCO2)CC1.
What is the InChIKey of 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is BZFGYCJHTNLARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3/c1-4-27-21(15-19(25-27)14-17(2)3)23(29)26-11-9-18(10-12-26)7-8-22(28)24-16-20-6-5-13-30-20/h15,17-18,20H,4-14,16H2,1-3H3,(H,24,28).
What are the key properties of 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 418.58 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 45201987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).