3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one

C16H20N2O2 — CID 63091999

IUPAC3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N2O2/c1-11-15(19)17-8-9-18(11)16(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,19)
InChIKeySKXKQUUPNJCEAC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.53
Rot. Bonds1

About 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one

3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one (PubChem CID 63091999) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
PubChem CID63091999
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N2O2/c1-11-15(19)17-8-9-18(11)16(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,19)
InChIKeySKXKQUUPNJCEAC-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one (CID 63091999) is 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one?
The InChIKey is SKXKQUUPNJCEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-15(19)17-8-9-18(11)16(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,19).
What are the key properties of 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one?
3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 63091999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).