1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

C19H24N4O3 — CID 24818964

IUPAC1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCCc2cn[nH]c2)CCC1=O
InChIInChI=1S/C19H24N4O3/c1-26-17-5-3-2-4-15(17)12-23-13-16(6-7-18(23)24)19(25)20-9-8-14-10-21-22-11-14/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,20,25)(H,21,22)
InChIKeyIRDUOWQHVAVZIQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.52
Rot. Bonds7

About 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 24818964) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID24818964
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCCc2cn[nH]c2)CCC1=O
InChIInChI=1S/C19H24N4O3/c1-26-17-5-3-2-4-15(17)12-23-13-16(6-7-18(23)24)19(25)20-9-8-14-10-21-22-11-14/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,20,25)(H,21,22)
InChIKeyIRDUOWQHVAVZIQ-UHFFFAOYSA-N
XLogP1.52
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 24818964) is 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCCc2cn[nH]c2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is IRDUOWQHVAVZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-17-5-3-2-4-15(17)12-23-13-16(6-7-18(23)24)19(25)20-9-8-14-10-21-22-11-14/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24818964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).