1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone

C21H22ClN3O2 — CID 118085828

IUPAC1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(Cl)nc1
InChIInChI=1S/C21H22ClN3O2/c1-14-21(19(27)13-24-10-8-16(26)9-11-24)17-4-2-3-5-18(17)25(14)15-6-7-20(22)23-12-15/h2-7,12,16,26H,8-11,13H2,1H3
InChIKeyLHVPJWUYVYXERY-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.63
Rot. Bonds4

About 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone

1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 118085828) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID118085828
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(Cl)nc1
InChIInChI=1S/C21H22ClN3O2/c1-14-21(19(27)13-24-10-8-16(26)9-11-24)17-4-2-3-5-18(17)25(14)15-6-7-20(22)23-12-15/h2-7,12,16,26H,8-11,13H2,1H3
InChIKeyLHVPJWUYVYXERY-UHFFFAOYSA-N
XLogP3.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone (CID 118085828) is 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone is Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(Cl)nc1.
What is the InChIKey of 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is LHVPJWUYVYXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14-21(19(27)13-24-10-8-16(26)9-11-24)17-4-2-3-5-18(17)25(14)15-6-7-20(22)23-12-15/h2-7,12,16,26H,8-11,13H2,1H3.
What are the key properties of 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 383.88 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 118085828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).