1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide

C24H24N4O2 — CID 53002698

IUPAC1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H24N4O2/c1-2-30-20-8-9-22-21(14-20)23(18(15-25)16-26-22)28-12-10-17(11-13-28)24(29)27-19-6-4-3-5-7-19/h3-9,14,16-17H,2,10-13H2,1H3,(H,27,29)
InChIKeySYTGQIOLVZKTAF-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide

1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 53002698) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID53002698
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H24N4O2/c1-2-30-20-8-9-22-21(14-20)23(18(15-25)16-26-22)28-12-10-17(11-13-28)24(29)27-19-6-4-3-5-7-19/h3-9,14,16-17H,2,10-13H2,1H3,(H,27,29)
InChIKeySYTGQIOLVZKTAF-UHFFFAOYSA-N
XLogP4.36
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
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
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
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-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide (CID 53002698) is 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide is CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccccc4)CC3)c2c1.
What is the InChIKey of 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is SYTGQIOLVZKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-30-20-8-9-22-21(14-20)23(18(15-25)16-26-22)28-12-10-17(11-13-28)24(29)27-19-6-4-3-5-7-19/h3-9,14,16-17H,2,10-13H2,1H3,(H,27,29).
What are the key properties of 1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.36, 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-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 53002698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).