4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid

C20H20ClN3O3 — CID 89445059

IUPAC4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid
SMILESCOc1cncc2c1c(C1CCN(C(=O)O)CC1)cn2-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3/c1-27-18-11-22-10-17-19(18)16(13-6-8-23(9-7-13)20(25)26)12-24(17)15-4-2-14(21)3-5-15/h2-5,10-13H,6-9H2,1H3,(H,25,26)
InChIKeyHVSCBDFOLRSTEO-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.54
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid

4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid (PubChem CID 89445059) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid
PubChem CID89445059
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid
SMILESCOc1cncc2c1c(C1CCN(C(=O)O)CC1)cn2-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3/c1-27-18-11-22-10-17-19(18)16(13-6-8-23(9-7-13)20(25)26)12-24(17)15-4-2-14(21)3-5-15/h2-5,10-13H,6-9H2,1H3,(H,25,26)
InChIKeyHVSCBDFOLRSTEO-UHFFFAOYSA-N
XLogP4.54
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 89451467
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 90413829
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
CID 145325570
N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 90412720
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 71516373
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
CID 144974958
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide
CID 144553308
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 159829945
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one;3-aminopropyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanamine
CID 158915977
4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 86268869
4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid
CID 139510841

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid (CID 89445059) is 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid is COc1cncc2c1c(C1CCN(C(=O)O)CC1)cn2-c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid?
The InChIKey is HVSCBDFOLRSTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-27-18-11-22-10-17-19(18)16(13-6-8-23(9-7-13)20(25)26)12-24(17)15-4-2-14(21)3-5-15/h2-5,10-13H,6-9H2,1H3,(H,25,26).
What are the key properties of 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid?
4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid has a molecular weight of 385.85 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 89445059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).