4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide

C24H28N4O4 — CID 140933988

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide
SMILESCOCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1
InChIInChI=1S/C24H28N4O4/c1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22/h4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3
InChIKeyJSAPLZZLEPOAQH-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.71
Rot. Bonds6

About 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide (PubChem CID 140933988) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide
PubChem CID140933988
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide
SMILESCOCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1
InChIInChI=1S/C24H28N4O4/c1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22/h4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3
InChIKeyJSAPLZZLEPOAQH-UHFFFAOYSA-N
XLogP2.71
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide with MolForge

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Related Compounds

benzyl N-[(2S)-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71453980
benzyl N-[(2S)-1-oxo-6-(prop-2-enoylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)hexan-2-yl]carbamate
CID 71459386
Ethyl 4-({[4-(2-pyridinyl)-1-piperazinyl]carbonyl}amino)benzoate
CID 1296067
5-[2-[4-(5-aminopyrazin-2-yl)phenyl]oxolan-2-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 122180165
US10513514, Number 11
CID 140933916
US10513514, Number 7
CID 140933986
US10513514, Number 19
CID 140934029
4-(methoxymethyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 35024198
Pcsk9-IN-31
CID 140933893
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CID 140933898
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CID 140933908

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide (CID 140933988) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide is COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide?
The InChIKey is JSAPLZZLEPOAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22/h4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide has a molecular weight of 436.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 140933988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).