(4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

C19H18ClN3O — CID 162749426

IUPAC(4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-3-14(4-6-15)19(24)23-10-7-13(8-11-23)17-12-22-18-16(17)2-1-9-21-18/h1-6,9,12-13H,7-8,10-11H2,(H,21,22)
InChIKeyPJWWRHWIKVGHNN-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.24
Rot. Bonds2

About (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 162749426) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID162749426
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H18ClN3O/c20-15-5-3-14(4-6-15)19(24)23-10-7-13(8-11-23)17-12-22-18-16(17)2-1-9-21-18/h1-6,9,12-13H,7-8,10-11H2,(H,21,22)
InChIKeyPJWWRHWIKVGHNN-UHFFFAOYSA-N
XLogP4.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 162749426) is (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is PJWWRHWIKVGHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-5-3-14(4-6-15)19(24)23-10-7-13(8-11-23)17-12-22-18-16(17)2-1-9-21-18/h1-6,9,12-13H,7-8,10-11H2,(H,21,22).
What are the key properties of (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 339.83 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162749426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).