N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C14H24N4O2 — CID 172899699

IUPACN-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCCN1CCCC(NC(=O)c2cc(C)n(C)n2)C1
InChIInChI=1S/C14H24N4O2/c1-11-9-13(16-17(11)2)14(19)15-12-5-4-6-18(10-12)7-8-20-3/h9,12H,4-8,10H2,1-3H3,(H,15,19)
InChIKeyHZYHDPPPNOWEQL-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.57
Rot. Bonds5

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

N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172899699) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172899699
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCCN1CCCC(NC(=O)c2cc(C)n(C)n2)C1
InChIInChI=1S/C14H24N4O2/c1-11-9-13(16-17(11)2)14(19)15-12-5-4-6-18(10-12)7-8-20-3/h9,12H,4-8,10H2,1-3H3,(H,15,19)
InChIKeyHZYHDPPPNOWEQL-UHFFFAOYSA-N
XLogP0.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172899699) is N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is COCCN1CCCC(NC(=O)c2cc(C)n(C)n2)C1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HZYHDPPPNOWEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-9-13(16-17(11)2)14(19)15-12-5-4-6-18(10-12)7-8-20-3/h9,12H,4-8,10H2,1-3H3,(H,15,19).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172899699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).