N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine

C24H32N4O2 — CID 45203077

IUPACN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine
SMILESCCN(Cc1cccc2nonc12)CC1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C24H32N4O2/c1-3-27(18-21-9-5-11-23-24(21)26-30-25-23)16-20-8-6-13-28(17-20)14-12-19-7-4-10-22(15-19)29-2/h4-5,7,9-11,15,20H,3,6,8,12-14,16-18H2,1-2H3
InChIKeyZLZYEVMFYCNVGF-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.01
Rot. Bonds9

About N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine

N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 45203077) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine
PubChem CID45203077
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine
SMILESCCN(Cc1cccc2nonc12)CC1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C24H32N4O2/c1-3-27(18-21-9-5-11-23-24(21)26-30-25-23)16-20-8-6-13-28(17-20)14-12-19-7-4-10-22(15-19)29-2/h4-5,7,9-11,15,20H,3,6,8,12-14,16-18H2,1-2H3
InChIKeyZLZYEVMFYCNVGF-UHFFFAOYSA-N
XLogP4.01
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

Ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 16189020
2-[4-(2,1,3-Benzoxadiazol-4-ylmethyl)-1-(4-methoxy-2,3-dimethylbenzyl)piperazin-2-yl]ethanol
CID 16191051
2-[4-(2,1,3-Benzoxadiazol-4-ylmethyl)-1-(4-ethoxybenzyl)piperazin-2-yl]ethanol
CID 16191053
[1-(2,1,3-Benzoxadiazol-5-ylmethyl)piperidin-3-yl](3-methoxyphenyl)methanone
CID 16187308
2-[4-(2,1,3-Benzoxadiazol-4-ylmethyl)-1-(2-ethoxybenzyl)piperazin-2-yl]ethanol
CID 16188380
2-[4-(2,1,3-Benzoxadiazol-4-ylmethyl)-1-(3-methoxybenzyl)piperazin-2-yl]ethanol
CID 16189170
4-(2,1,3-Benzoxadiazol-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56909611
1-(3-{[(2,1,3-Benzoxadiazol-5-ylmethyl)(methyl)amino]methyl}phenoxy)-3-(4-morpholinyl)-2-propanol
CID 45194263
(3S*,4S*)-1-(2,1,3-benzothiadiazol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 50959036
2-[4-(2,1,3-Benzoxadiazol-4-ylmethyl)-1-(2-fluoro-4-methoxybenzyl)-2-piperazinyl]ethanol
CID 45216833
2-[4-(2,1,3-Benzoxadiazol-5-ylmethyl)-1-(2-fluoro-4-methoxybenzyl)-2-piperazinyl]ethanol
CID 45238808
(2,1,3-Benzoxadiazol-5-ylmethyl)cyclopropyl(2-ethoxybenzyl)amine
CID 46982305

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine (CID 45203077) is N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine is CCN(Cc1cccc2nonc12)CC1CCCN(CCc2cccc(OC)c2)C1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is ZLZYEVMFYCNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-27(18-21-9-5-11-23-24(21)26-30-25-23)16-20-8-6-13-28(17-20)14-12-19-7-4-10-22(15-19)29-2/h4-5,7,9-11,15,20H,3,6,8,12-14,16-18H2,1-2H3.
What are the key properties of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine?
N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 408.55 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 45203077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).