1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one

C24H27N3O2 — CID 98040637

IUPAC1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one
SMILESCOc1ccccc1N1CCN(CCn2ccc(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C24H27N3O2/c1-29-23-10-6-5-9-22(23)26-16-13-25(14-17-26)15-18-27-12-11-21(19-24(27)28)20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3
InChIKeyAOGWXMGZSBZGCM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one

1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one (PubChem CID 98040637) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one
PubChem CID98040637
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one
SMILESCOc1ccccc1N1CCN(CCn2ccc(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C24H27N3O2/c1-29-23-10-6-5-9-22(23)26-16-13-25(14-17-26)15-18-27-12-11-21(19-24(27)28)20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3
InChIKeyAOGWXMGZSBZGCM-UHFFFAOYSA-N
XLogP3.35
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
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CID 11761983
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
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CID 101108349
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 142648062
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CID 11201573
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CID 10849160
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
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CID 22458185
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one?
The IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one (CID 98040637) is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one is COc1ccccc1N1CCN(CCn2ccc(-c3ccccc3)cc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one?
The InChIKey is AOGWXMGZSBZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-23-10-6-5-9-22(23)26-16-13-25(14-17-26)15-18-27-12-11-21(19-24(27)28)20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3.
What are the key properties of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one?
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one has a molecular weight of 389.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one is sourced from PubChem (CID 98040637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).