N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H26N4O3 — CID 120925460

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H26N4O3/c1-22(14-15-26-17-7-4-3-6-16(17)25-2)18(24)19(8-11-20-12-9-19)23-13-5-10-21-23/h3-7,10,13,20H,8-9,11-12,14-15H2,1-2H3
InChIKeyRZWSLTOPOBLRSM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120925460) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120925460
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H26N4O3/c1-22(14-15-26-17-7-4-3-6-16(17)25-2)18(24)19(8-11-20-12-9-19)23-13-5-10-21-23/h3-7,10,13,20H,8-9,11-12,14-15H2,1-2H3
InChIKeyRZWSLTOPOBLRSM-UHFFFAOYSA-N
XLogP1.51
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120925460) is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is COc1ccccc1OCCN(C)C(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is RZWSLTOPOBLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22(14-15-26-17-7-4-3-6-16(17)25-2)18(24)19(8-11-20-12-9-19)23-13-5-10-21-23/h3-7,10,13,20H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120925460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).