6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one

C23H26ClN3O2 — CID 58467795

IUPAC6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one
SMILESC[C@@H]1CN(C(=O)CNc2ccc3c(c2)CCC(=O)C3)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O2/c1-16-15-26(10-11-27(16)21-7-4-19(24)5-8-21)23(29)14-25-20-6-2-18-13-22(28)9-3-17(18)12-20/h2,4-8,12,16,25H,3,9-11,13-15H2,1H3/t16-/m1/s1
InChIKeyAZTDYPYSBOOMOL-MRXNPFEDSA-N
MW411.93 g/mol
LogP3.55
Rot. Bonds4

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

6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 58467795) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one
PubChem CID58467795
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one
SMILESC[C@@H]1CN(C(=O)CNc2ccc3c(c2)CCC(=O)C3)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O2/c1-16-15-26(10-11-27(16)21-7-4-19(24)5-8-21)23(29)14-25-20-6-2-18-13-22(28)9-3-17(18)12-20/h2,4-8,12,16,25H,3,9-11,13-15H2,1H3/t16-/m1/s1
InChIKeyAZTDYPYSBOOMOL-MRXNPFEDSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-(4-chloro-3,5-difluorophenyl)-3-methylpiperazin-1-yl]-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58467599
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58350689
6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467626
6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467384
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58467769
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61470206
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylpyrrolidine-2,4-dione
CID 148755454
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
1-[4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-3-(4-pyridin-3-ylimidazol-4-yl)propan-1-one
CID 158182014
3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4993779
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one (CID 58467795) is 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one is C[C@@H]1CN(C(=O)CNc2ccc3c(c2)CCC(=O)C3)CCN1c1ccc(Cl)cc1.
What is the InChIKey of 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is AZTDYPYSBOOMOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-16-15-26(10-11-27(16)21-7-4-19(24)5-8-21)23(29)14-25-20-6-2-18-13-22(28)9-3-17(18)12-20/h2,4-8,12,16,25H,3,9-11,13-15H2,1H3/t16-/m1/s1.
What are the key properties of 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one?
6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 411.93 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 58467795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).