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

C20H26N4O3 — CID 24794200

IUPAC1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCc3cn[nH]c3)CCC2=O)cc1
InChIInChI=1S/C20H26N4O3/c1-27-18-5-2-15(3-6-18)9-11-24-14-17(4-7-19(24)25)20(26)21-10-8-16-12-22-23-13-16/h2-3,5-6,12-13,17H,4,7-11,14H2,1H3,(H,21,26)(H,22,23)
InChIKeyWANCIXQDNIXKOI-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.56
Rot. Bonds8

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

1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 24794200) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID24794200
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCc3cn[nH]c3)CCC2=O)cc1
InChIInChI=1S/C20H26N4O3/c1-27-18-5-2-15(3-6-18)9-11-24-14-17(4-7-19(24)25)20(26)21-10-8-16-12-22-23-13-16/h2-3,5-6,12-13,17H,4,7-11,14H2,1H3,(H,21,26)(H,22,23)
InChIKeyWANCIXQDNIXKOI-UHFFFAOYSA-N
XLogP1.56
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 24794200) is 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCCc3cn[nH]c3)CCC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is WANCIXQDNIXKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-27-18-5-2-15(3-6-18)9-11-24-14-17(4-7-19(24)25)20(26)21-10-8-16-12-22-23-13-16/h2-3,5-6,12-13,17H,4,7-11,14H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24794200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).