6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one

C24H25F2N3O3 — CID 58467448

IUPAC6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one
SMILESCOc1c(F)cc(N2CCN(C(=O)CNc3ccc4c(c3)C=CC(=O)C4)[C@H](C)C2)cc1F
InChIInChI=1S/C24H25F2N3O3/c1-15-14-28(19-11-21(25)24(32-2)22(26)12-19)7-8-29(15)23(31)13-27-18-5-3-17-10-20(30)6-4-16(17)9-18/h3-6,9,11-12,15,27H,7-8,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyCWSXFZYECKACCK-OAHLLOKOSA-N
MW441.48 g/mol
LogP3.26
Rot. Bonds5

About 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one

6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one (PubChem CID 58467448) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one
PubChem CID58467448
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one
SMILESCOc1c(F)cc(N2CCN(C(=O)CNc3ccc4c(c3)C=CC(=O)C4)[C@H](C)C2)cc1F
InChIInChI=1S/C24H25F2N3O3/c1-15-14-28(19-11-21(25)24(32-2)22(26)12-19)7-8-29(15)23(31)13-27-18-5-3-17-10-20(30)6-4-16(17)9-18/h3-6,9,11-12,15,27H,7-8,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyCWSXFZYECKACCK-OAHLLOKOSA-N
XLogP3.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[[2-[(2R)-4-(4-chloro-3,5-difluorophenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467631
6-[[2-[(2R)-4-(2,3-dihydro-1H-inden-5-yl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467737
2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
CID 58467672
6-[[2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467560
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide
CID 58467554
2-(3,5-difluoro-4-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56502976
2-(4-chloroanilino)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264535
tert-butyl (2R)-4-(3,5-difluoro-4-methoxycarbonylphenyl)-2-methylpiperazine-1-carboxylate
CID 130211145
1-[4-(4-acetyl-2-fluorophenyl)-2-methylpiperazin-1-yl]butan-1-one
CID 6486925
2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58467508
1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296512
1-ethyl-6,8-difluoro-7-[4-[4-(3-hydroxy-4-methoxycarbonylanilino)-4-oxobutanoyl]-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 155774665

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one?
The IUPAC name of 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one (CID 58467448) is 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one.
What is the SMILES notation for 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one?
The canonical SMILES for 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one is COc1c(F)cc(N2CCN(C(=O)CNc3ccc4c(c3)C=CC(=O)C4)[C@H](C)C2)cc1F.
What is the InChIKey of 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one?
The InChIKey is CWSXFZYECKACCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-15-14-28(19-11-21(25)24(32-2)22(26)12-19)7-8-29(15)23(31)13-27-18-5-3-17-10-20(30)6-4-16(17)9-18/h3-6,9,11-12,15,27H,7-8,10,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one?
6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one has a molecular weight of 441.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one is sourced from PubChem (CID 58467448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).