1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

C25H25FN4O4 — CID 53113706

IUPAC1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc(OC)c1OC
InChIInChI=1S/C25H25FN4O4/c1-32-21-11-18(12-22(33-2)24(21)34-3)29-25(31)15-6-8-30(9-7-15)23-16(13-27)14-28-20-5-4-17(26)10-19(20)23/h4-5,10-12,14-15H,6-9H2,1-3H3,(H,29,31)
InChIKeyYJCBHOACKAENJW-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.13
Rot. Bonds6

About 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 53113706) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
PubChem CID53113706
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc(OC)c1OC
InChIInChI=1S/C25H25FN4O4/c1-32-21-11-18(12-22(33-2)24(21)34-3)29-25(31)15-6-8-30(9-7-15)23-16(13-27)14-28-20-5-4-17(26)10-19(20)23/h4-5,10-12,14-15H,6-9H2,1-3H3,(H,29,31)
InChIKeyYJCBHOACKAENJW-UHFFFAOYSA-N
XLogP4.13
TPSA96.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 53002561
N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 53002568
1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667
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
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-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-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide (CID 53113706) is 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is YJCBHOACKAENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-32-21-11-18(12-22(33-2)24(21)34-3)29-25(31)15-6-8-30(9-7-15)23-16(13-27)14-28-20-5-4-17(26)10-19(20)23/h4-5,10-12,14-15H,6-9H2,1-3H3,(H,29,31).
What are the key properties of 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide?
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53113706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).