2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone

C24H31N3O3 — CID 10070098

IUPAC2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(-c2c(C)cc(CC(=O)N3CCCCC3)nc2N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-16-20(17-22(28)26-10-4-3-5-11-26)25-24(27-12-14-30-15-13-27)23(18)19-6-8-21(29-2)9-7-19/h6-9,16H,3-5,10-15,17H2,1-2H3
InChIKeyNUTNKSWLDMMTBB-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.46
Rot. Bonds5

About 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone

2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone (PubChem CID 10070098) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone
PubChem CID10070098
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(-c2c(C)cc(CC(=O)N3CCCCC3)nc2N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-16-20(17-22(28)26-10-4-3-5-11-26)25-24(27-12-14-30-15-13-27)23(18)19-6-8-21(29-2)9-7-19/h6-9,16H,3-5,10-15,17H2,1-2H3
InChIKeyNUTNKSWLDMMTBB-UHFFFAOYSA-N
XLogP3.46
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 22560806
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 3431885
1-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-methoxyphenyl)-6,7-dimethyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 3742449
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
CID 102236385
7-ethyl-5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 3676239
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
5-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135094494
4-isocyano-3-(4-methoxyphenyl)-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 58022836

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone (CID 10070098) is 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone is COc1ccc(-c2c(C)cc(CC(=O)N3CCCCC3)nc2N2CCOCC2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone?
The InChIKey is NUTNKSWLDMMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-16-20(17-22(28)26-10-4-3-5-11-26)25-24(27-12-14-30-15-13-27)23(18)19-6-8-21(29-2)9-7-19/h6-9,16H,3-5,10-15,17H2,1-2H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone?
2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone has a molecular weight of 409.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 10070098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).