N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

C18H24N4O2 — CID 155519785

IUPACN-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCOc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H24N4O2/c1-24-17-8-4-3-7-15(17)16-9-13-22(20-16)14-10-19-18(23)21-11-5-2-6-12-21/h3-4,7-9,13H,2,5-6,10-12,14H2,1H3,(H,19,23)
InChIKeyDGEYVRFNMFOLDD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.75
Rot. Bonds5

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

N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155519785) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155519785
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCOc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H24N4O2/c1-24-17-8-4-3-7-15(17)16-9-13-22(20-16)14-10-19-18(23)21-11-5-2-6-12-21/h3-4,7-9,13H,2,5-6,10-12,14H2,1H3,(H,19,23)
InChIKeyDGEYVRFNMFOLDD-UHFFFAOYSA-N
XLogP2.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155519785) is N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is COc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1.
What is the InChIKey of N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is DGEYVRFNMFOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-17-8-4-3-7-15(17)16-9-13-22(20-16)14-10-19-18(23)21-11-5-2-6-12-21/h3-4,7-9,13H,2,5-6,10-12,14H2,1H3,(H,19,23).
What are the key properties of N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methoxyphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155519785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).