1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide

C23H27F2N5O — CID 129257512

IUPAC1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide
SMILESCCN1CCC(NC(=O)C2CN(c3ccc(C#N)c4ncccc34)CC(F)(F)C2)CC1
InChIInChI=1S/C23H27F2N5O/c1-2-29-10-7-18(8-11-29)28-22(31)17-12-23(24,25)15-30(14-17)20-6-5-16(13-26)21-19(20)4-3-9-27-21/h3-6,9,17-18H,2,7-8,10-12,14-15H2,1H3,(H,28,31)
InChIKeyQCVQANAQBIOCEL-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.17
Rot. Bonds4

About 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide

1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide (PubChem CID 129257512) has the molecular formula C23H27F2N5O and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide
PubChem CID129257512
Molecular FormulaC23H27F2N5O
Molecular Weight427.50 g/mol
Exact Mass427.22
IUPAC Name1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide
SMILESCCN1CCC(NC(=O)C2CN(c3ccc(C#N)c4ncccc34)CC(F)(F)C2)CC1
InChIInChI=1S/C23H27F2N5O/c1-2-29-10-7-18(8-11-29)28-22(31)17-12-23(24,25)15-30(14-17)20-6-5-16(13-26)21-19(20)4-3-9-27-21/h3-6,9,17-18H,2,7-8,10-12,14-15H2,1H3,(H,28,31)
InChIKeyQCVQANAQBIOCEL-UHFFFAOYSA-N
XLogP3.17
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide?
The IUPAC name of 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide (CID 129257512) is 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide.
What is the SMILES notation for 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide?
The canonical SMILES for 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide is CCN1CCC(NC(=O)C2CN(c3ccc(C#N)c4ncccc34)CC(F)(F)C2)CC1.
What is the InChIKey of 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide?
The InChIKey is QCVQANAQBIOCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O/c1-2-29-10-7-18(8-11-29)28-22(31)17-12-23(24,25)15-30(14-17)20-6-5-16(13-26)21-19(20)4-3-9-27-21/h3-6,9,17-18H,2,7-8,10-12,14-15H2,1H3,(H,28,31).
What are the key properties of 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide?
1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide is sourced from PubChem (CID 129257512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).