6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one

C16H21N3O2 — CID 43789549

IUPAC6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)N1CCC(Nc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H21N3O2/c1-11(20)19-8-6-13(7-9-19)17-14-3-4-15-12(10-14)2-5-16(21)18-15/h3-4,10,13,17H,2,5-9H2,1H3,(H,18,21)
InChIKeyVQEPSPCQLGMCFD-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.99
Rot. Bonds2

About 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one

6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43789549) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43789549
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)N1CCC(Nc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H21N3O2/c1-11(20)19-8-6-13(7-9-19)17-14-3-4-15-12(10-14)2-5-16(21)18-15/h3-4,10,13,17H,2,5-9H2,1H3,(H,18,21)
InChIKeyVQEPSPCQLGMCFD-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 43789549) is 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one is CC(=O)N1CCC(Nc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VQEPSPCQLGMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)19-8-6-13(7-9-19)17-14-3-4-15-12(10-14)2-5-16(21)18-15/h3-4,10,13,17H,2,5-9H2,1H3,(H,18,21).
What are the key properties of 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43789549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).