1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide

C19H24N4O3 — CID 136524433

IUPAC1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESCOCCn1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O3/c1-26-13-12-23-11-9-17(21-23)20-18(24)16-8-5-10-22(14-16)19(25)15-6-3-2-4-7-15/h2-4,6-7,9,11,16H,5,8,10,12-14H2,1H3,(H,20,21,24)
InChIKeyWZDWLTZTTKWFRT-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.02
Rot. Bonds6

About 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide

1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 136524433) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide
PubChem CID136524433
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESCOCCn1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O3/c1-26-13-12-23-11-9-17(21-23)20-18(24)16-8-5-10-22(14-16)19(25)15-6-3-2-4-7-15/h2-4,6-7,9,11,16H,5,8,10,12-14H2,1H3,(H,20,21,24)
InChIKeyWZDWLTZTTKWFRT-UHFFFAOYSA-N
XLogP2.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide (CID 136524433) is 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide is COCCn1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)n1.
What is the InChIKey of 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is WZDWLTZTTKWFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-13-12-23-11-9-17(21-23)20-18(24)16-8-5-10-22(14-16)19(25)15-6-3-2-4-7-15/h2-4,6-7,9,11,16H,5,8,10,12-14H2,1H3,(H,20,21,24).
What are the key properties of 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide?
1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 136524433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).