N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide

C25H29N5O3 — CID 53166110

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide
SMILESCCc1nc2cc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cnc2nc1CC
InChIInChI=1S/C25H29N5O3/c1-3-19-20(4-2)29-24-21(28-19)12-18(14-26-24)30-9-7-17(8-10-30)25(31)27-13-16-5-6-22-23(11-16)33-15-32-22/h5-6,11-12,14,17H,3-4,7-10,13,15H2,1-2H3,(H,27,31)
InChIKeyPDDWKKQSQVGDOY-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.41
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide (PubChem CID 53166110) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide
PubChem CID53166110
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide
SMILESCCc1nc2cc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cnc2nc1CC
InChIInChI=1S/C25H29N5O3/c1-3-19-20(4-2)29-24-21(28-19)12-18(14-26-24)30-9-7-17(8-10-30)25(31)27-13-16-5-6-22-23(11-16)33-15-32-22/h5-6,11-12,14,17H,3-4,7-10,13,15H2,1-2H3,(H,27,31)
InChIKeyPDDWKKQSQVGDOY-UHFFFAOYSA-N
XLogP3.41
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 5154889
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 22422089
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224404
N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834330
N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 3222648
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9035725
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 2210411
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1077664
N-[(4-morpholin-4-ylphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 83278309
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118410
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444920
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide (CID 53166110) is N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide is CCc1nc2cc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cnc2nc1CC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide?
The InChIKey is PDDWKKQSQVGDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-19-20(4-2)29-24-21(28-19)12-18(14-26-24)30-9-7-17(8-10-30)25(31)27-13-16-5-6-22-23(11-16)33-15-32-22/h5-6,11-12,14,17H,3-4,7-10,13,15H2,1-2H3,(H,27,31).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53166110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).