1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one

C17H26N2O2 — CID 53015308

IUPAC1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCCN1C(=O)CCC2(C(=O)N3CCCCC3)CCCC=C12
InChIInChI=1S/C17H26N2O2/c1-2-19-14-8-4-5-10-17(14,11-9-15(19)20)16(21)18-12-6-3-7-13-18/h8H,2-7,9-13H2,1H3
InChIKeyOXAOQUZTNMGQMU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.70
Rot. Bonds2

About 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one

1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one (PubChem CID 53015308) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
PubChem CID53015308
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCCN1C(=O)CCC2(C(=O)N3CCCCC3)CCCC=C12
InChIInChI=1S/C17H26N2O2/c1-2-19-14-8-4-5-10-17(14,11-9-15(19)20)16(21)18-12-6-3-7-13-18/h8H,2-7,9-13H2,1H3
InChIKeyOXAOQUZTNMGQMU-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The IUPAC name of 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one (CID 53015308) is 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one.
What is the SMILES notation for 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The canonical SMILES for 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one is CCN1C(=O)CCC2(C(=O)N3CCCCC3)CCCC=C12.
What is the InChIKey of 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The InChIKey is OXAOQUZTNMGQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-19-14-8-4-5-10-17(14,11-9-15(19)20)16(21)18-12-6-3-7-13-18/h8H,2-7,9-13H2,1H3.
What are the key properties of 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one is sourced from PubChem (CID 53015308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).