3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

C23H32N4O2 — CID 17490457

IUPAC3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C23H32N4O2/c28-21-17-25-27(20-10-4-3-9-19(20)21)16-11-22(29)24-18-23(12-5-1-6-13-23)26-14-7-2-8-15-26/h3-4,9-10,17H,1-2,5-8,11-16,18H2,(H,24,29)
InChIKeyLJTQDXDDOQOILT-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.09
Rot. Bonds6

About 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (PubChem CID 17490457) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
PubChem CID17490457
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C23H32N4O2/c28-21-17-25-27(20-10-4-3-9-19(20)21)16-11-22(29)24-18-23(12-5-1-6-13-23)26-14-7-2-8-15-26/h3-4,9-10,17H,1-2,5-8,11-16,18H2,(H,24,29)
InChIKeyLJTQDXDDOQOILT-UHFFFAOYSA-N
XLogP3.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (CID 17490457) is 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is O=C(CCn1ncc(=O)c2ccccc21)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The InChIKey is LJTQDXDDOQOILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-21-17-25-27(20-10-4-3-9-19(20)21)16-11-22(29)24-18-23(12-5-1-6-13-23)26-14-7-2-8-15-26/h3-4,9-10,17H,1-2,5-8,11-16,18H2,(H,24,29).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide has a molecular weight of 396.54 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 17490457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).