2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C32H45N3O4 — CID 134787165

IUPAC2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)[C@@H]2CCc3c(C)cc(OCCN4CCOCC4)c(C)c3C2)CC1
InChIInChI=1S/C32H45N3O4/c1-23-21-31(39-20-17-33-15-18-38-19-16-33)25(3)28-22-26(9-10-27(23)28)24(2)32(36)35-13-11-34(12-14-35)29-7-5-6-8-30(29)37-4/h5-8,21,24,26H,9-20,22H2,1-4H3/t24?,26-/m1/s1
InChIKeyKYRYYWMAQDTZDN-JUERFOTFSA-N
MW535.73 g/mol
LogP4.11
Rot. Bonds8

About 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 134787165) has the molecular formula C32H45N3O4 and a molecular weight of 535.73 g/mol. Its IUPAC name is 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID134787165
Molecular FormulaC32H45N3O4
Molecular Weight535.73 g/mol
Exact Mass535.34
IUPAC Name2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)[C@@H]2CCc3c(C)cc(OCCN4CCOCC4)c(C)c3C2)CC1
InChIInChI=1S/C32H45N3O4/c1-23-21-31(39-20-17-33-15-18-38-19-16-33)25(3)28-22-26(9-10-27(23)28)24(2)32(36)35-13-11-34(12-14-35)29-7-5-6-8-30(29)37-4/h5-8,21,24,26H,9-20,22H2,1-4H3/t24?,26-/m1/s1
InChIKeyKYRYYWMAQDTZDN-JUERFOTFSA-N
XLogP4.11
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.73
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
1-{4-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-piperidin-2-one
CID 11742940
1-(2-Methoxy-phenyl)-4-[4-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10070045
1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10092041
1-(2-Methoxy-phenyl)-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10715665
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-phenylisoquinolin-1(2H)-one
CID 54580905
[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 659991
1-(2-Methoxy-phenyl)-4-[4-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10001519
5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10574209
5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10645098
5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10740968
5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10812885

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 134787165) is 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)C(C)[C@@H]2CCc3c(C)cc(OCCN4CCOCC4)c(C)c3C2)CC1.
What is the InChIKey of 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is KYRYYWMAQDTZDN-JUERFOTFSA-N. The full InChI is InChI=1S/C32H45N3O4/c1-23-21-31(39-20-17-33-15-18-38-19-16-33)25(3)28-22-26(9-10-27(23)28)24(2)32(36)35-13-11-34(12-14-35)29-7-5-6-8-30(29)37-4/h5-8,21,24,26H,9-20,22H2,1-4H3/t24?,26-/m1/s1.
What are the key properties of 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 535.73 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 134787165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).