1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide

C23H22N4O2 — CID 53002509

IUPAC1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc2c(N3CCC(C(=O)Nc4ccccc4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C23H22N4O2/c1-29-19-7-8-20-21(13-19)25-15-17(14-24)22(20)27-11-9-16(10-12-27)23(28)26-18-5-3-2-4-6-18/h2-8,13,15-16H,9-12H2,1H3,(H,26,28)
InChIKeyFQTPRVBIATUQLD-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.97
Rot. Bonds4

About 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide

1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 53002509) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID53002509
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc2c(N3CCC(C(=O)Nc4ccccc4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C23H22N4O2/c1-29-19-7-8-20-21(13-19)25-15-17(14-24)22(20)27-11-9-16(10-12-27)23(28)26-18-5-3-2-4-6-18/h2-8,13,15-16H,9-12H2,1H3,(H,26,28)
InChIKeyFQTPRVBIATUQLD-UHFFFAOYSA-N
XLogP3.97
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
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
7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002491
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-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53002466
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
CID 53002454
tert-butyl 1-(3-cyano-7-methoxyquinolin-4-yl)-3-methylpiperidine-4-carboxylate
CID 142290702

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide (CID 53002509) is 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide is COc1ccc2c(N3CCC(C(=O)Nc4ccccc4)CC3)c(C#N)cnc2c1.
What is the InChIKey of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is FQTPRVBIATUQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-19-7-8-20-21(13-19)25-15-17(14-24)22(20)27-11-9-16(10-12-27)23(28)26-18-5-3-2-4-6-18/h2-8,13,15-16H,9-12H2,1H3,(H,26,28).
What are the key properties of 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide?
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 53002509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).