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

C16H26N4O3 — CID 53151093

IUPACN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)c2ccnn2C)CC1
InChIInChI=1S/C16H26N4O3/c1-18(16(22)14-4-8-17-19(14)2)12-15(21)20-9-5-13(6-10-20)7-11-23-3/h4,8,13H,5-7,9-12H2,1-3H3
InChIKeyWNBRVYLYGXYZTF-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.77
Rot. Bonds6

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

N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 53151093) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID53151093
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)c2ccnn2C)CC1
InChIInChI=1S/C16H26N4O3/c1-18(16(22)14-4-8-17-19(14)2)12-15(21)20-9-5-13(6-10-20)7-11-23-3/h4,8,13H,5-7,9-12H2,1-3H3
InChIKeyWNBRVYLYGXYZTF-UHFFFAOYSA-N
XLogP0.77
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.77
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,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide (CID 53151093) is N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide is COCCC1CCN(C(=O)CN(C)C(=O)c2ccnn2C)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is WNBRVYLYGXYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18(16(22)14-4-8-17-19(14)2)12-15(21)20-9-5-13(6-10-20)7-11-23-3/h4,8,13H,5-7,9-12H2,1-3H3.
What are the key properties of N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.77, 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,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 53151093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).