1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide

C25H26N4O2 — CID 53002478

IUPAC1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(OC)cc34)CC2)c1
InChIInChI=1S/C25H26N4O2/c1-3-17-5-4-6-20(13-17)28-25(30)18-9-11-29(12-10-18)24-19(15-26)16-27-23-8-7-21(31-2)14-22(23)24/h4-8,13-14,16,18H,3,9-12H2,1-2H3,(H,28,30)
InChIKeyNUIJVBBCLVPJRK-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide

1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide (PubChem CID 53002478) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
PubChem CID53002478
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(OC)cc34)CC2)c1
InChIInChI=1S/C25H26N4O2/c1-3-17-5-4-6-20(13-17)28-25(30)18-9-11-29(12-10-18)24-19(15-26)16-27-23-8-7-21(31-2)14-22(23)24/h4-8,13-14,16,18H,3,9-12H2,1-2H3,(H,28,30)
InChIKeyNUIJVBBCLVPJRK-UHFFFAOYSA-N
XLogP4.53
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53002466
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
[1-(3-cyano-6-methoxyquinolin-4-yl)piperidin-4-yl]methyl dihydrogen phosphite
CID 154672957
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide (CID 53002478) is 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(OC)cc34)CC2)c1.
What is the InChIKey of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is NUIJVBBCLVPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-3-17-5-4-6-20(13-17)28-25(30)18-9-11-29(12-10-18)24-19(15-26)16-27-23-8-7-21(31-2)14-22(23)24/h4-8,13-14,16,18H,3,9-12H2,1-2H3,(H,28,30).
What are the key properties of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53002478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).