2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide

C24H32N4O3 — CID 125008595

IUPAC2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3ccccc3OCC)C2)nc1C
InChIInChI=1S/C24H32N4O3/c1-5-25-22(29)14-20-16(3)26-23(27-17(20)4)18-10-9-13-28(15-18)24(30)19-11-7-8-12-21(19)31-6-2/h7-8,11-12,18H,5-6,9-10,13-15H2,1-4H3,(H,25,29)/t18-/m0/s1
InChIKeyUWDVDAIBEMSBRG-SFHVURJKSA-N
MW424.55 g/mol
LogP3.19
Rot. Bonds7

About 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide

2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide (PubChem CID 125008595) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
PubChem CID125008595
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3ccccc3OCC)C2)nc1C
InChIInChI=1S/C24H32N4O3/c1-5-25-22(29)14-20-16(3)26-23(27-17(20)4)18-10-9-13-28(15-18)24(30)19-11-7-8-12-21(19)31-6-2/h7-8,11-12,18H,5-6,9-10,13-15H2,1-4H3,(H,25,29)/t18-/m0/s1
InChIKeyUWDVDAIBEMSBRG-SFHVURJKSA-N
XLogP3.19
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
CID 110083324
2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083315
2-[2-[(3S)-1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
CID 125008205
N-ethyl-2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125026551
(2-ethoxyphenyl)-[(3S)-3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95110997
2-[2-[(3S)-1-(2,3-dimethoxybenzoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124980068
5-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94088693
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 25488819
N-ethyl-2-[2-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088482
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide (CID 125008595) is 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide is CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3ccccc3OCC)C2)nc1C.
What is the InChIKey of 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide?
The InChIKey is UWDVDAIBEMSBRG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-25-22(29)14-20-16(3)26-23(27-17(20)4)18-10-9-13-28(15-18)24(30)19-11-7-8-12-21(19)31-6-2/h7-8,11-12,18H,5-6,9-10,13-15H2,1-4H3,(H,25,29)/t18-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide?
2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide has a molecular weight of 424.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide is sourced from PubChem (CID 125008595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).