ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate

C36H52N6O5 — CID 158804801

IUPACethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate
SMILESCCOC(=O)CC(NC(=O)CC1CCN(C)CC1)c1ccccn1.CCOC(=O)Cc1nc(CC2CCN(C)CC2)n2ccccc12
InChIInChI=1S/C18H27N3O3.C18H25N3O2/c1-3-24-18(23)13-16(15-6-4-5-9-19-15)20-17(22)12-14-7-10-21(2)11-8-14;1-3-23-18(22)13-15-16-6-4-5-9-21(16)17(19-15)12-14-7-10-20(2)11-8-14/h4-6,9,14,16H,3,7-8,10-13H2,1-2H3,(H,20,22);4-6,9,14H,3,7-8,10-13H2,1-2H3
InChIKeyITYBLJUGBOUGHU-UHFFFAOYSA-N
MW648.85 g/mol
LogP4.25
Rot. Bonds12

About ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate

ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate (PubChem CID 158804801) has the molecular formula C36H52N6O5 and a molecular weight of 648.85 g/mol. Its IUPAC name is ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate
PubChem CID158804801
Molecular FormulaC36H52N6O5
Molecular Weight648.85 g/mol
Exact Mass648.40
IUPAC Nameethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate
SMILESCCOC(=O)CC(NC(=O)CC1CCN(C)CC1)c1ccccn1.CCOC(=O)Cc1nc(CC2CCN(C)CC2)n2ccccc12
InChIInChI=1S/C18H27N3O3.C18H25N3O2/c1-3-24-18(23)13-16(15-6-4-5-9-19-15)20-17(22)12-14-7-10-21(2)11-8-14;1-3-23-18(22)13-15-16-6-4-5-9-21(16)17(19-15)12-14-7-10-20(2)11-8-14/h4-6,9,14,16H,3,7-8,10-13H2,1-2H3,(H,20,22);4-6,9,14H,3,7-8,10-13H2,1-2H3
InChIKeyITYBLJUGBOUGHU-UHFFFAOYSA-N
XLogP4.25
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate?
The IUPAC name of ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate (CID 158804801) is ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate is CCOC(=O)CC(NC(=O)CC1CCN(C)CC1)c1ccccn1.CCOC(=O)Cc1nc(CC2CCN(C)CC2)n2ccccc12.
What is the InChIKey of ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate?
The InChIKey is ITYBLJUGBOUGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.C18H25N3O2/c1-3-24-18(23)13-16(15-6-4-5-9-19-15)20-17(22)12-14-7-10-21(2)11-8-14;1-3-23-18(22)13-15-16-6-4-5-9-21(16)17(19-15)12-14-7-10-20(2)11-8-14/h4-6,9,14,16H,3,7-8,10-13H2,1-2H3,(H,20,22);4-6,9,14H,3,7-8,10-13H2,1-2H3.
What are the key properties of ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate?
ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate has a molecular weight of 648.85 g/mol, XLogP of 4.25, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate is sourced from PubChem (CID 158804801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).