N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H26N4O3 — CID 120922992

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-3-26-16-6-5-15(13-17(16)25-2)14-21-18(24)19(7-10-20-11-8-19)23-12-4-9-22-23/h4-6,9,12-13,20H,3,7-8,10-11,14H2,1-2H3,(H,21,24)
InChIKeyZEFZVKLPWHXLEG-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.69
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120922992) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120922992
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-3-26-16-6-5-15(13-17(16)25-2)14-21-18(24)19(7-10-20-11-8-19)23-12-4-9-22-23/h4-6,9,12-13,20H,3,7-8,10-11,14H2,1-2H3,(H,21,24)
InChIKeyZEFZVKLPWHXLEG-UHFFFAOYSA-N
XLogP1.69
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923153
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925389
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714589
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922663
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924281
N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120922992) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CCOc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ZEFZVKLPWHXLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-26-16-6-5-15(13-17(16)25-2)14-21-18(24)19(7-10-20-11-8-19)23-12-4-9-22-23/h4-6,9,12-13,20H,3,7-8,10-11,14H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120922992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).