N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H27N5O3 — CID 120924716

IUPACN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H27N5O3/c1-3-24(15-18(26)23-16-7-4-5-8-17(16)28-2)19(27)20(9-12-21-13-10-20)25-14-6-11-22-25/h4-8,11,14,21H,3,9-10,12-13,15H2,1-2H3,(H,23,26)
InChIKeySBLSBZTXINNDBM-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.46
Rot. Bonds7

About N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120924716) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120924716
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H27N5O3/c1-3-24(15-18(26)23-16-7-4-5-8-17(16)28-2)19(27)20(9-12-21-13-10-20)25-14-6-11-22-25/h4-8,11,14,21H,3,9-10,12-13,15H2,1-2H3,(H,23,26)
InChIKeySBLSBZTXINNDBM-UHFFFAOYSA-N
XLogP1.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925460
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918589
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291082
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925548
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787699
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120924716) is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is SBLSBZTXINNDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-24(15-18(26)23-16-7-4-5-8-17(16)28-2)19(27)20(9-12-21-13-10-20)25-14-6-11-22-25/h4-8,11,14,21H,3,9-10,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120924716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).