2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C24H33N3O3 — CID 97266257

IUPAC2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCOc1cn(CC(=O)N[C@H](C)CCc2ccccc2)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C24H33N3O3/c1-19(11-12-20-9-5-3-6-10-20)25-24(29)18-27-17-23(30-2)22(28)15-21(27)16-26-13-7-4-8-14-26/h3,5-6,9-10,15,17,19H,4,7-8,11-14,16,18H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyKYWQITRCBAKKDX-LJQANCHMSA-N
MW411.55 g/mol
LogP2.98
Rot. Bonds9

About 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 97266257) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID97266257
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCOc1cn(CC(=O)N[C@H](C)CCc2ccccc2)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C24H33N3O3/c1-19(11-12-20-9-5-3-6-10-20)25-24(29)18-27-17-23(30-2)22(28)15-21(27)16-26-13-7-4-8-14-26/h3,5-6,9-10,15,17,19H,4,7-8,11-14,16,18H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyKYWQITRCBAKKDX-LJQANCHMSA-N
XLogP2.98
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 71703582
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
CID 30544629
N-cyclopentyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
CID 44826930
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230
N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide
CID 75489675
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 27369068
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide
CID 18566961
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
CID 18566942
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
CID 53367911
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 97266257) is 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is COc1cn(CC(=O)N[C@H](C)CCc2ccccc2)c(CN2CCCCC2)cc1=O.
What is the InChIKey of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is KYWQITRCBAKKDX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-19(11-12-20-9-5-3-6-10-20)25-24(29)18-27-17-23(30-2)22(28)15-21(27)16-26-13-7-4-8-14-26/h3,5-6,9-10,15,17,19H,4,7-8,11-14,16,18H2,1-2H3,(H,25,29)/t19-/m1/s1.
What are the key properties of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 97266257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).