2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide

C24H31N5O — CID 134229268

IUPAC2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCC1CC(c2ccc(C#N)c3ncccc23)CN(CC(=O)NC2CCN(C)CC2)C1
InChIInChI=1S/C24H31N5O/c1-17-12-19(21-6-5-18(13-25)24-22(21)4-3-9-26-24)15-29(14-17)16-23(30)27-20-7-10-28(2)11-8-20/h3-6,9,17,19-20H,7-8,10-12,14-16H2,1-2H3,(H,27,30)
InChIKeyVNIQILBKULXVRB-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.74
Rot. Bonds4

About 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide

2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 134229268) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID134229268
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCC1CC(c2ccc(C#N)c3ncccc23)CN(CC(=O)NC2CCN(C)CC2)C1
InChIInChI=1S/C24H31N5O/c1-17-12-19(21-6-5-18(13-25)24-22(21)4-3-9-26-24)15-29(14-17)16-23(30)27-20-7-10-28(2)11-8-20/h3-6,9,17,19-20H,7-8,10-12,14-16H2,1-2H3,(H,27,30)
InChIKeyVNIQILBKULXVRB-UHFFFAOYSA-N
XLogP2.74
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 155461968
3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
CID 134237253
5-[(3R,5R)-1-[2-(azetidin-1-yl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134237236
5-[(3R,5R)-1-[2-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134229304
5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile
CID 134242487
5-[1-[2-(1-aminocyclopropyl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134253889
5-[1-(4,4-difluorocyclohexanecarbonyl)-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134229295
2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
CID 134229271
5-[(3R,5R)-5-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
CID 134229159
(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide
CID 134237261
(3S,4S)-1-(8-cyanoquinolin-5-yl)-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 146440477
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide (CID 134229268) is 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide is CC1CC(c2ccc(C#N)c3ncccc23)CN(CC(=O)NC2CCN(C)CC2)C1.
What is the InChIKey of 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is VNIQILBKULXVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-17-12-19(21-6-5-18(13-25)24-22(21)4-3-9-26-24)15-29(14-17)16-23(30)27-20-7-10-28(2)11-8-20/h3-6,9,17,19-20H,7-8,10-12,14-16H2,1-2H3,(H,27,30).
What are the key properties of 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 405.55 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 134229268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).