1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide

C24H24N4O — CID 53002444

IUPAC1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C24H24N4O/c1-2-17-7-3-5-9-21(17)27-24(29)18-11-13-28(14-12-18)23-19(15-25)16-26-22-10-6-4-8-20(22)23/h3-10,16,18H,2,11-14H2,1H3,(H,27,29)
InChIKeyDBKOZPKMOBEIBA-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.52
Rot. Bonds4

About 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide

1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide (PubChem CID 53002444) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
PubChem CID53002444
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C24H24N4O/c1-2-17-7-3-5-9-21(17)27-24(29)18-11-13-28(14-12-18)23-19(15-25)16-26-22-10-6-4-8-20(22)23/h3-10,16,18H,2,11-14H2,1H3,(H,27,29)
InChIKeyDBKOZPKMOBEIBA-UHFFFAOYSA-N
XLogP4.52
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
CID 53002454
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
1-(3-cyanoquinolin-4-yl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133317144
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
CID 61217907
1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478
1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53002466
N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
CID 133319063
N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 53002568
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
CID 167954599

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide (CID 53002444) is 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1.
What is the InChIKey of 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is DBKOZPKMOBEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-17-7-3-5-9-21(17)27-24(29)18-11-13-28(14-12-18)23-19(15-25)16-26-22-10-6-4-8-20(22)23/h3-10,16,18H,2,11-14H2,1H3,(H,27,29).
What are the key properties of 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53002444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).