2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide

C19H24F2N4O — CID 175648562

IUPAC2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
SMILESN#Cc1cc2c(nc1N1CCC(CC(=O)NCC(F)F)CC1)CCCC2
InChIInChI=1S/C19H24F2N4O/c20-17(21)12-23-18(26)9-13-5-7-25(8-6-13)19-15(11-22)10-14-3-1-2-4-16(14)24-19/h10,13,17H,1-9,12H2,(H,23,26)
InChIKeyDTJIPHPGMNBVPN-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.82
Rot. Bonds5

About 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide

2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide (PubChem CID 175648562) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
PubChem CID175648562
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
SMILESN#Cc1cc2c(nc1N1CCC(CC(=O)NCC(F)F)CC1)CCCC2
InChIInChI=1S/C19H24F2N4O/c20-17(21)12-23-18(26)9-13-5-7-25(8-6-13)19-15(11-22)10-14-3-1-2-4-16(14)24-19/h10,13,17H,1-9,12H2,(H,23,26)
InChIKeyDTJIPHPGMNBVPN-UHFFFAOYSA-N
XLogP2.82
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide with MolForge

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Related Compounds

2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 70727057
2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126863059
1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 103878001
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63267750
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-[3-(methoxymethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64598310
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 138385420
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 115559868
2-[4-[[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]methyl]piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126863346

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide (CID 175648562) is 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide is N#Cc1cc2c(nc1N1CCC(CC(=O)NCC(F)F)CC1)CCCC2.
What is the InChIKey of 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The InChIKey is DTJIPHPGMNBVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c20-17(21)12-23-18(26)9-13-5-7-25(8-6-13)19-15(11-22)10-14-3-1-2-4-16(14)24-19/h10,13,17H,1-9,12H2,(H,23,26).
What are the key properties of 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide has a molecular weight of 362.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 175648562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).