[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C23H26N2O4 — CID 48691660

IUPAC[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-29-19-8-6-16(7-9-19)22(27)24-10-12-25(13-11-24)23(28)20-14-17-4-2-3-5-18(17)15-21(20)26/h6-9,14-15,26H,2-5,10-13H2,1H3
InChIKeyVVQDZVXSVMLAIC-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.88
Rot. Bonds3

About [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 48691660) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID48691660
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-29-19-8-6-16(7-9-19)22(27)24-10-12-25(13-11-24)23(28)20-14-17-4-2-3-5-18(17)15-21(20)26/h6-9,14-15,26H,2-5,10-13H2,1H3
InChIKeyVVQDZVXSVMLAIC-UHFFFAOYSA-N
XLogP2.88
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 38321798
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 48692245
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 108543875
3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 70752830
1-[2-(4-methoxybenzoyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]ethanone
CID 90881725
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 48691660) is [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)cc1.
What is the InChIKey of [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VVQDZVXSVMLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-19-8-6-16(7-9-19)22(27)24-10-12-25(13-11-24)23(28)20-14-17-4-2-3-5-18(17)15-21(20)26/h6-9,14-15,26H,2-5,10-13H2,1H3.
What are the key properties of [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 394.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 48691660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).