2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide

C19H24N4O3 — CID 128989265

IUPAC2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1
InChIInChI=1S/C19H24N4O3/c1-22-18(25)8-7-15(19(22)16-9-10-20-23(16)2)21-17(24)12-13-5-4-6-14(11-13)26-3/h4-6,9-11,15,19H,7-8,12H2,1-3H3,(H,21,24)/t15-,19-/m1/s1
InChIKeyHKPRRIFUZNSTTF-DNVCBOLYSA-N
MW356.43 g/mol
LogP1.45
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide

2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide (PubChem CID 128989265) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
PubChem CID128989265
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1
InChIInChI=1S/C19H24N4O3/c1-22-18(25)8-7-15(19(22)16-9-10-20-23(16)2)21-17(24)12-13-5-4-6-14(11-13)26-3/h4-6,9-11,15,19H,7-8,12H2,1-3H3,(H,21,24)/t15-,19-/m1/s1
InChIKeyHKPRRIFUZNSTTF-DNVCBOLYSA-N
XLogP1.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128984529
(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128983643
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91910962
methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
CID 124709192
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide (CID 128989265) is 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide is COc1cccc(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
The InChIKey is HKPRRIFUZNSTTF-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-18(25)8-7-15(19(22)16-9-10-20-23(16)2)21-17(24)12-13-5-4-6-14(11-13)26-3/h4-6,9-11,15,19H,7-8,12H2,1-3H3,(H,21,24)/t15-,19-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 128989265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).