2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone

C16H23N3O — CID 96669235

IUPAC2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C16H23N3O/c17-12-16(20)19-9-7-18(8-10-19)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11H,1-4,7-10,12,17H2
InChIKeyPQMUQMYUMSZKDY-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.17
Rot. Bonds2

About 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone

2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone (PubChem CID 96669235) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone
PubChem CID96669235
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C16H23N3O/c17-12-16(20)19-9-7-18(8-10-19)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11H,1-4,7-10,12,17H2
InChIKeyPQMUQMYUMSZKDY-UHFFFAOYSA-N
XLogP1.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone (CID 96669235) is 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
The InChIKey is PQMUQMYUMSZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-12-16(20)19-9-7-18(8-10-19)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11H,1-4,7-10,12,17H2.
What are the key properties of 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 96669235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).