1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C25H26N4O3 — CID 53002466

IUPAC1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4OC)CC3)c2c1
InChIInChI=1S/C25H26N4O3/c1-31-20-7-8-22-21(13-20)24(19(14-26)16-27-22)29-11-9-17(10-12-29)25(30)28-15-18-5-3-4-6-23(18)32-2/h3-8,13,16-17H,9-12,15H2,1-2H3,(H,28,30)
InChIKeyLHZHUBPODZXCHW-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.66
Rot. Bonds6

About 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53002466) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID53002466
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4OC)CC3)c2c1
InChIInChI=1S/C25H26N4O3/c1-31-20-7-8-22-21(13-20)24(19(14-26)16-27-22)29-11-9-17(10-12-29)25(30)28-15-18-5-3-4-6-23(18)32-2/h3-8,13,16-17H,9-12,15H2,1-2H3,(H,28,30)
InChIKeyLHZHUBPODZXCHW-UHFFFAOYSA-N
XLogP3.66
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]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-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
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-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
[1-(3-cyano-6-methoxyquinolin-4-yl)piperidin-4-yl]methyl dihydrogen phosphite
CID 154672957
1-(3-cyanoquinolin-4-yl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133317144
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 53002466) is 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4OC)CC3)c2c1.
What is the InChIKey of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LHZHUBPODZXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-31-20-7-8-22-21(13-20)24(19(14-26)16-27-22)29-11-9-17(10-12-29)25(30)28-15-18-5-3-4-6-23(18)32-2/h3-8,13,16-17H,9-12,15H2,1-2H3,(H,28,30).
What are the key properties of 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53002466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).