2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one

C25H27NO2 — CID 19854748

IUPAC2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one
SMILESCc1ccc(C(=O)CN2CCC(C3=CCc4ccccc4C3=O)CC2)cc1C
InChIInChI=1S/C25H27NO2/c1-17-7-8-21(15-18(17)2)24(27)16-26-13-11-20(12-14-26)23-10-9-19-5-3-4-6-22(19)25(23)28/h3-8,10,15,20H,9,11-14,16H2,1-2H3
InChIKeyHDBIZJHBVGEQQW-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.56
Rot. Bonds4

About 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one

2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one (PubChem CID 19854748) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one.

Molecular Properties

Compound Name2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one
PubChem CID19854748
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one
SMILESCc1ccc(C(=O)CN2CCC(C3=CCc4ccccc4C3=O)CC2)cc1C
InChIInChI=1S/C25H27NO2/c1-17-7-8-21(15-18(17)2)24(27)16-26-13-11-20(12-14-26)23-10-9-19-5-3-4-6-22(19)25(23)28/h3-8,10,15,20H,9,11-14,16H2,1-2H3
InChIKeyHDBIZJHBVGEQQW-UHFFFAOYSA-N
XLogP4.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one?
The IUPAC name of 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one (CID 19854748) is 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one.
What is the SMILES notation for 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one?
The canonical SMILES for 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one is Cc1ccc(C(=O)CN2CCC(C3=CCc4ccccc4C3=O)CC2)cc1C.
What is the InChIKey of 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one?
The InChIKey is HDBIZJHBVGEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-17-7-8-21(15-18(17)2)24(27)16-26-13-11-20(12-14-26)23-10-9-19-5-3-4-6-22(19)25(23)28/h3-8,10,15,20H,9,11-14,16H2,1-2H3.
What are the key properties of 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one?
2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one has a molecular weight of 373.50 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-4-yl]-4H-naphthalen-1-one is sourced from PubChem (CID 19854748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).