ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate

C26H32N4O3 — CID 118152930

IUPACethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(-c3nccc4[nH]c(CN5CCOCC5)cc34)cc2)CC1
InChIInChI=1S/C26H32N4O3/c1-2-33-26(31)20-8-11-30(12-9-20)22-5-3-19(4-6-22)25-23-17-21(28-24(23)7-10-27-25)18-29-13-15-32-16-14-29/h3-7,10,17,20,28H,2,8-9,11-16,18H2,1H3
InChIKeyZYDVOZUAQBECSS-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.84
Rot. Bonds6

About ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate

ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate (PubChem CID 118152930) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate
PubChem CID118152930
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Nameethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(-c3nccc4[nH]c(CN5CCOCC5)cc34)cc2)CC1
InChIInChI=1S/C26H32N4O3/c1-2-33-26(31)20-8-11-30(12-9-20)22-5-3-19(4-6-22)25-23-17-21(28-24(23)7-10-27-25)18-29-13-15-32-16-14-29/h3-7,10,17,20,28H,2,8-9,11-16,18H2,1H3
InChIKeyZYDVOZUAQBECSS-UHFFFAOYSA-N
XLogP3.84
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate with MolForge

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Related Compounds

4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
CID 118152604
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
ethyl 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126850161
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
CID 75385964
ethyl 6-morpholin-4-yl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11652799
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
CID 83972080
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 79245074

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate (CID 118152930) is ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(-c3nccc4[nH]c(CN5CCOCC5)cc34)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate?
The InChIKey is ZYDVOZUAQBECSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-2-33-26(31)20-8-11-30(12-9-20)22-5-3-19(4-6-22)25-23-17-21(28-24(23)7-10-27-25)18-29-13-15-32-16-14-29/h3-7,10,17,20,28H,2,8-9,11-16,18H2,1H3.
What are the key properties of ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate?
ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate has a molecular weight of 448.57 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 118152930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).