N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide

C19H32N4O3 — CID 45238412

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)Cn2cccn2)CC1
InChIInChI=1S/C19H32N4O3/c1-25-13-11-21-9-5-17(6-10-21)14-22(15-18-4-2-12-26-18)19(24)16-23-8-3-7-20-23/h3,7-8,17-18H,2,4-6,9-16H2,1H3
InChIKeyZMUWWKLQUMAGNM-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.25
Rot. Bonds9

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide (PubChem CID 45238412) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide
PubChem CID45238412
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)Cn2cccn2)CC1
InChIInChI=1S/C19H32N4O3/c1-25-13-11-21-9-5-17(6-10-21)14-22(15-18-4-2-12-26-18)19(24)16-23-8-3-7-20-23/h3,7-8,17-18H,2,4-6,9-16H2,1H3
InChIKeyZMUWWKLQUMAGNM-UHFFFAOYSA-N
XLogP1.25
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide (CID 45238412) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide is COCCN1CCC(CN(CC2CCCO2)C(=O)Cn2cccn2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide?
The InChIKey is ZMUWWKLQUMAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-25-13-11-21-9-5-17(6-10-21)14-22(15-18-4-2-12-26-18)19(24)16-23-8-3-7-20-23/h3,7-8,17-18H,2,4-6,9-16H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide has a molecular weight of 364.49 g/mol, XLogP of 1.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 45238412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).