4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide

C26H32ClN5O2 — CID 71516439

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C26H32ClN5O2/c27-21-2-4-22(5-3-21)32-19-24(23-6-10-28-18-25(23)32)20-7-12-31(13-8-20)26(33)29-9-1-11-30-14-16-34-17-15-30/h2-6,10,18-20H,1,7-9,11-17H2,(H,29,33)
InChIKeyZWTRBTBWDLTMLZ-UHFFFAOYSA-N
MW482.03 g/mol
LogP4.29
Rot. Bonds6

About 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide (PubChem CID 71516439) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
PubChem CID71516439
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C26H32ClN5O2/c27-21-2-4-22(5-3-21)32-19-24(23-6-10-28-18-25(23)32)20-7-12-31(13-8-20)26(33)29-9-1-11-30-14-16-34-17-15-30/h2-6,10,18-20H,1,7-9,11-17H2,(H,29,33)
InChIKeyZWTRBTBWDLTMLZ-UHFFFAOYSA-N
XLogP4.29
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 159829945
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
[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
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-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53147920
2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
CID 157217898

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide (CID 71516439) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide is O=C(NCCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
The InChIKey is ZWTRBTBWDLTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c27-21-2-4-22(5-3-21)32-19-24(23-6-10-28-18-25(23)32)20-7-12-31(13-8-20)26(33)29-9-1-11-30-14-16-34-17-15-30/h2-6,10,18-20H,1,7-9,11-17H2,(H,29,33).
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide has a molecular weight of 482.03 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 71516439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).