methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate

C18H22N4O4 — CID 120922883

IUPACmethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C18H22N4O4/c1-25-16(23)13-26-15-5-2-4-14(12-15)21-17(24)18(6-9-19-10-7-18)22-11-3-8-20-22/h2-5,8,11-12,19H,6-7,9-10,13H2,1H3,(H,21,24)
InChIKeyCDYLEZTXONLRAV-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.15
Rot. Bonds6

About methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate

methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate (PubChem CID 120922883) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
PubChem CID120922883
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namemethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C18H22N4O4/c1-25-16(23)13-26-15-5-2-4-14(12-15)21-17(24)18(6-9-19-10-7-18)22-11-3-8-20-22/h2-5,8,11-12,19H,6-7,9-10,13H2,1H3,(H,21,24)
InChIKeyCDYLEZTXONLRAV-UHFFFAOYSA-N
XLogP1.15
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
CID 120934173
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924281
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
methyl 2-[[4-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzoyl]amino]acetate
CID 120919843
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate (CID 120922883) is methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.
What is the InChIKey of methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate?
The InChIKey is CDYLEZTXONLRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-25-16(23)13-26-15-5-2-4-14(12-15)21-17(24)18(6-9-19-10-7-18)22-11-3-8-20-22/h2-5,8,11-12,19H,6-7,9-10,13H2,1H3,(H,21,24).
What are the key properties of methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate?
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate has a molecular weight of 358.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 120922883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).