5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide

C23H28N4O3 — CID 22390794

IUPAC5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESCOc1cc2ccn(C(=O)NCCN3CCC(COc4ccccc4)CC3)c2cn1
InChIInChI=1S/C23H28N4O3/c1-29-22-15-19-9-13-27(21(19)16-25-22)23(28)24-10-14-26-11-7-18(8-12-26)17-30-20-5-3-2-4-6-20/h2-6,9,13,15-16,18H,7-8,10-12,14,17H2,1H3,(H,24,28)
InChIKeyVKWFFIKIEYWSQO-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.39
Rot. Bonds7

About 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide

5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide (PubChem CID 22390794) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide
PubChem CID22390794
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESCOc1cc2ccn(C(=O)NCCN3CCC(COc4ccccc4)CC3)c2cn1
InChIInChI=1S/C23H28N4O3/c1-29-22-15-19-9-13-27(21(19)16-25-22)23(28)24-10-14-26-11-7-18(8-12-26)17-30-20-5-3-2-4-6-20/h2-6,9,13,15-16,18H,7-8,10-12,14,17H2,1H3,(H,24,28)
InChIKeyVKWFFIKIEYWSQO-UHFFFAOYSA-N
XLogP3.39
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide with MolForge

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Related Compounds

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1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
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2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
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N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
CID 154798925
4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
CID 66886134
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
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1-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
CID 72887930
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10344471
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide?
The IUPAC name of 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide (CID 22390794) is 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide is COc1cc2ccn(C(=O)NCCN3CCC(COc4ccccc4)CC3)c2cn1.
What is the InChIKey of 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide?
The InChIKey is VKWFFIKIEYWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-22-15-19-9-13-27(21(19)16-25-22)23(28)24-10-14-26-11-7-18(8-12-26)17-30-20-5-3-2-4-6-20/h2-6,9,13,15-16,18H,7-8,10-12,14,17H2,1H3,(H,24,28).
What are the key properties of 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide?
5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyrrolo[2,3-c]pyridine-1-carboxamide is sourced from PubChem (CID 22390794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).