N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide

C23H24F2N4O — CID 24733892

IUPACN-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(CCCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C23H24F2N4O/c24-19-7-8-22(20(25)15-19)27-23(30)29-12-10-28(11-13-29)9-3-4-17-14-18-5-1-2-6-21(18)26-16-17/h1-2,5-8,14-16H,3-4,9-13H2,(H,27,30)
InChIKeyOGTGDNCSSUPALJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.30
Rot. Bonds5

About N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide (PubChem CID 24733892) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
PubChem CID24733892
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC NameN-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(CCCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C23H24F2N4O/c24-19-7-8-22(20(25)15-19)27-23(30)29-12-10-28(11-13-29)9-3-4-17-14-18-5-1-2-6-21(18)26-16-17/h1-2,5-8,14-16H,3-4,9-13H2,(H,27,30)
InChIKeyOGTGDNCSSUPALJ-UHFFFAOYSA-N
XLogP4.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733890
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
CID 11653164
4-[(3,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 2957495
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline
CID 24733909
N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide
CID 7189289
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide (CID 24733892) is N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(CCCc2cnc3ccccc3c2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
The InChIKey is OGTGDNCSSUPALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c24-19-7-8-22(20(25)15-19)27-23(30)29-12-10-28(11-13-29)9-3-4-17-14-18-5-1-2-6-21(18)26-16-17/h1-2,5-8,14-16H,3-4,9-13H2,(H,27,30).
What are the key properties of N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 24733892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).