N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide

C24H28N4O2 — CID 24733890

IUPACN-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(CCCc3cnc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H28N4O2/c1-30-22-9-4-8-21(17-22)26-24(29)28-14-12-27(13-15-28)11-5-6-19-16-20-7-2-3-10-23(20)25-18-19/h2-4,7-10,16-18H,5-6,11-15H2,1H3,(H,26,29)
InChIKeyGUDXFKHIPUDZKP-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.03
Rot. Bonds6

About N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide (PubChem CID 24733890) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
PubChem CID24733890
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(CCCc3cnc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H28N4O2/c1-30-22-9-4-8-21(17-22)26-24(29)28-14-12-27(13-15-28)11-5-6-19-16-20-7-2-3-10-23(20)25-18-19/h2-4,7-10,16-18H,5-6,11-15H2,1H3,(H,26,29)
InChIKeyGUDXFKHIPUDZKP-UHFFFAOYSA-N
XLogP4.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733892
N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide
CID 59413874
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46389546
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
CID 72885784
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109366
N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109409
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide (CID 24733890) is N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(CCCc3cnc4ccccc4c3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
The InChIKey is GUDXFKHIPUDZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-22-9-4-8-21(17-22)26-24(29)28-14-12-27(13-15-28)11-5-6-19-16-20-7-2-3-10-23(20)25-18-19/h2-4,7-10,16-18H,5-6,11-15H2,1H3,(H,26,29).
What are the key properties of N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 24733890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).