1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone

C22H22ClFN2O — CID 118085808

IUPAC1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1c(C(=O)CN2CCCCC2)c2cc(F)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClFN2O/c1-15-22(21(27)14-25-11-3-2-4-12-25)19-13-17(24)7-10-20(19)26(15)18-8-5-16(23)6-9-18/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyCIIVLVUFOANQQR-UHFFFAOYSA-N
MW384.88 g/mol
LogP5.40
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone

1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone (PubChem CID 118085808) has the molecular formula C22H22ClFN2O and a molecular weight of 384.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone
PubChem CID118085808
Molecular FormulaC22H22ClFN2O
Molecular Weight384.88 g/mol
Exact Mass384.14
IUPAC Name1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1c(C(=O)CN2CCCCC2)c2cc(F)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClFN2O/c1-15-22(21(27)14-25-11-3-2-4-12-25)19-13-17(24)7-10-20(19)26(15)18-8-5-16(23)6-9-18/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyCIIVLVUFOANQQR-UHFFFAOYSA-N
XLogP5.40
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.88
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone (CID 118085808) is 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone is Cc1c(C(=O)CN2CCCCC2)c2cc(F)ccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is CIIVLVUFOANQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O/c1-15-22(21(27)14-25-11-3-2-4-12-25)19-13-17(24)7-10-20(19)26(15)18-8-5-16(23)6-9-18/h5-10,13H,2-4,11-12,14H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone?
1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 384.88 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-fluoro-2-methylindol-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 118085808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).