(3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide

C23H29N5O — CID 134237255

IUPAC(3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)NC2CCN(C)CC2)C1
InChIInChI=1S/C23H29N5O/c1-16-12-18(20-6-5-17(13-24)22-21(20)4-3-9-25-22)15-28(14-16)23(29)26-19-7-10-27(2)11-8-19/h3-6,9,16,18-19H,7-8,10-12,14-15H2,1-2H3,(H,26,29)/t16-,18+/m1/s1
InChIKeyDBHNEWFBAUQGLN-AEFFLSMTSA-N
MW391.52 g/mol
LogP3.34
Rot. Bonds2

About (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide

(3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 134237255) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
PubChem CID134237255
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)NC2CCN(C)CC2)C1
InChIInChI=1S/C23H29N5O/c1-16-12-18(20-6-5-17(13-24)22-21(20)4-3-9-25-22)15-28(14-16)23(29)26-19-7-10-27(2)11-8-19/h3-6,9,16,18-19H,7-8,10-12,14-15H2,1-2H3,(H,26,29)/t16-,18+/m1/s1
InChIKeyDBHNEWFBAUQGLN-AEFFLSMTSA-N
XLogP3.34
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide (CID 134237255) is (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide is C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)NC2CCN(C)CC2)C1.
What is the InChIKey of (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?
The InChIKey is DBHNEWFBAUQGLN-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-12-18(20-6-5-17(13-24)22-21(20)4-3-9-25-22)15-28(14-16)23(29)26-19-7-10-27(2)11-8-19/h3-6,9,16,18-19H,7-8,10-12,14-15H2,1-2H3,(H,26,29)/t16-,18+/m1/s1.
What are the key properties of (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?
(3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 134237255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).