5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H25N3O — CID 81108578

IUPAC5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCN1CCC(CNC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H25N3O/c1-19-9-7-12(8-10-19)11-17-14-3-2-4-15-13(14)5-6-16(20)18-15/h5-6,12,14,17H,2-4,7-11H2,1H3,(H,18,20)
InChIKeyHVQSLPYVNNAOMN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds3

About 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81108578) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81108578
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCN1CCC(CNC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H25N3O/c1-19-9-7-12(8-10-19)11-17-14-3-2-4-15-13(14)5-6-16(20)18-15/h5-6,12,14,17H,2-4,7-11H2,1H3,(H,18,20)
InChIKeyHVQSLPYVNNAOMN-UHFFFAOYSA-N
XLogP1.68
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81108578) is 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CN1CCC(CNC2CCCc3[nH]c(=O)ccc32)CC1.
What is the InChIKey of 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is HVQSLPYVNNAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19-9-7-12(8-10-19)11-17-14-3-2-4-15-13(14)5-6-16(20)18-15/h5-6,12,14,17H,2-4,7-11H2,1H3,(H,18,20).
What are the key properties of 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 275.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81108578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).