N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide

C19H26N4O2 — CID 173044845

IUPACN-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide
SMILESCc1[nH]ncc1-c1cccc(OCCNC(=O)CC2CCNCC2)c1
InChIInChI=1S/C19H26N4O2/c1-14-18(13-22-23-14)16-3-2-4-17(12-16)25-10-9-21-19(24)11-15-5-7-20-8-6-15/h2-4,12-13,15,20H,5-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyGTCUMTNCDIHTAS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide

N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide (PubChem CID 173044845) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide
PubChem CID173044845
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide
SMILESCc1[nH]ncc1-c1cccc(OCCNC(=O)CC2CCNCC2)c1
InChIInChI=1S/C19H26N4O2/c1-14-18(13-22-23-14)16-3-2-4-17(12-16)25-10-9-21-19(24)11-15-5-7-20-8-6-15/h2-4,12-13,15,20H,5-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyGTCUMTNCDIHTAS-UHFFFAOYSA-N
XLogP2.27
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide
CID 173044787
(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide
CID 173044805
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 62211308
2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 173044745
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide
CID 173044738
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride
CID 119746386
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
CID 67648354
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 92634189
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide (CID 173044845) is N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide is Cc1[nH]ncc1-c1cccc(OCCNC(=O)CC2CCNCC2)c1.
What is the InChIKey of N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide?
The InChIKey is GTCUMTNCDIHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-18(13-22-23-14)16-3-2-4-17(12-16)25-10-9-21-19(24)11-15-5-7-20-8-6-15/h2-4,12-13,15,20H,5-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide?
N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 173044845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).