N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide

C19H24N4O3 — CID 166183459

IUPACN-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCOCc1ccccc1NC(=O)C(=O)N1CCCC(c2cc(C)[nH]n2)C1
InChIInChI=1S/C19H24N4O3/c1-13-10-17(22-21-13)14-7-5-9-23(11-14)19(25)18(24)20-16-8-4-3-6-15(16)12-26-2/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyVEOGWJPJVDAPPX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide

N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 166183459) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID166183459
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCOCc1ccccc1NC(=O)C(=O)N1CCCC(c2cc(C)[nH]n2)C1
InChIInChI=1S/C19H24N4O3/c1-13-10-17(22-21-13)14-7-5-9-23(11-14)19(25)18(24)20-16-8-4-3-6-15(16)12-26-2/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyVEOGWJPJVDAPPX-UHFFFAOYSA-N
XLogP2.21
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
[5-(methoxymethyl)-2-methylfuran-3-yl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926875
[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004398
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
(2-methoxy-3-pyridinyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514391
[2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]phenyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 100629382
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 97004347
1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96514400
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide (CID 166183459) is N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide is COCc1ccccc1NC(=O)C(=O)N1CCCC(c2cc(C)[nH]n2)C1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is VEOGWJPJVDAPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-10-17(22-21-13)14-7-5-9-23(11-14)19(25)18(24)20-16-8-4-3-6-15(16)12-26-2/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide?
N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 356.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166183459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).