N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide

C25H27N5O2 — CID 46328215

IUPACN-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCCN(c2nc3ncccc3n3cccc23)C1
InChIInChI=1S/C25H27N5O2/c1-2-32-22-12-4-3-8-18(22)16-27-25(31)19-9-6-14-29(17-19)24-21-11-7-15-30(21)20-10-5-13-26-23(20)28-24/h3-5,7-8,10-13,15,19H,2,6,9,14,16-17H2,1H3,(H,27,31)
InChIKeyADEWKNYVWYNFIG-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.81
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide

N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide (PubChem CID 46328215) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
PubChem CID46328215
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCCN(c2nc3ncccc3n3cccc23)C1
InChIInChI=1S/C25H27N5O2/c1-2-32-22-12-4-3-8-18(22)16-27-25(31)19-9-6-14-29(17-19)24-21-11-7-15-30(21)20-10-5-13-26-23(20)28-24/h3-5,7-8,10-13,15,19H,2,6,9,14,16-17H2,1H3,(H,27,31)
InChIKeyADEWKNYVWYNFIG-UHFFFAOYSA-N
XLogP3.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870531
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328224
(3S)-N-[(3-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870533
(3S)-N-(2-pyrrolidin-1-ylethyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870571
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326
(3S)-N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870585
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454638
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522901
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328213
N-[3-(azepan-1-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328210
N-(2-methylphenyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328176
(3R)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870580

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide (CID 46328215) is N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide is CCOc1ccccc1CNC(=O)C1CCCN(c2nc3ncccc3n3cccc23)C1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
The InChIKey is ADEWKNYVWYNFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-2-32-22-12-4-3-8-18(22)16-27-25(31)19-9-6-14-29(17-19)24-21-11-7-15-30(21)20-10-5-13-26-23(20)28-24/h3-5,7-8,10-13,15,19H,2,6,9,14,16-17H2,1H3,(H,27,31).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46328215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).