N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide

C17H28N4O3 — CID 53151095

IUPACN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-13-11-15(18-20(13)3)17(23)19(2)12-16(22)21-8-5-14(6-9-21)7-10-24-4/h11,14H,5-10,12H2,1-4H3
InChIKeyOAXIRHCDDZUOCH-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.08
Rot. Bonds6

About N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 53151095) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID53151095
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-13-11-15(18-20(13)3)17(23)19(2)12-16(22)21-8-5-14(6-9-21)7-10-24-4/h11,14H,5-10,12H2,1-4H3
InChIKeyOAXIRHCDDZUOCH-UHFFFAOYSA-N
XLogP1.08
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 53151095) is N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide is COCCC1CCN(C(=O)CN(C)C(=O)c2cc(C)n(C)n2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is OAXIRHCDDZUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-11-15(18-20(13)3)17(23)19(2)12-16(22)21-8-5-14(6-9-21)7-10-24-4/h11,14H,5-10,12H2,1-4H3.
What are the key properties of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 53151095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).