1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C22H35N3O2 — CID 91925193

IUPAC1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESO=C1CCC2(C(=O)NCCN3CCCCC3)CCCC=C2N1C1CCCC1
InChIInChI=1S/C22H35N3O2/c26-20-11-13-22(21(27)23-14-17-24-15-6-1-7-16-24)12-5-4-10-19(22)25(20)18-8-2-3-9-18/h10,18H,1-9,11-17H2,(H,23,27)
InChIKeyMJKTVPLEEHSPIF-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.21
Rot. Bonds5

About 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925193) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925193
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESO=C1CCC2(C(=O)NCCN3CCCCC3)CCCC=C2N1C1CCCC1
InChIInChI=1S/C22H35N3O2/c26-20-11-13-22(21(27)23-14-17-24-15-6-1-7-16-24)12-5-4-10-19(22)25(20)18-8-2-3-9-18/h10,18H,1-9,11-17H2,(H,23,27)
InChIKeyMJKTVPLEEHSPIF-UHFFFAOYSA-N
XLogP3.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925193) is 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is O=C1CCC2(C(=O)NCCN3CCCCC3)CCCC=C2N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is MJKTVPLEEHSPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c26-20-11-13-22(21(27)23-14-17-24-15-6-1-7-16-24)12-5-4-10-19(22)25(20)18-8-2-3-9-18/h10,18H,1-9,11-17H2,(H,23,27).
What are the key properties of 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).