2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone

C26H30ClFN4O2 — CID 70639787

IUPAC2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(CN1CC(C(=O)N2CCC(c3ccccc3F)CC2)c2ccc(Cl)cc21)N1CCNCC1
InChIInChI=1S/C26H30ClFN4O2/c27-19-5-6-21-22(16-32(24(21)15-19)17-25(33)30-13-9-29-10-14-30)26(34)31-11-7-18(8-12-31)20-3-1-2-4-23(20)28/h1-6,15,18,22,29H,7-14,16-17H2
InChIKeyKEJWTWXBWJTEJB-UHFFFAOYSA-N
MW485.00 g/mol
LogP3.22
Rot. Bonds4

About 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone

2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 70639787) has the molecular formula C26H30ClFN4O2 and a molecular weight of 485.00 g/mol. Its IUPAC name is 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone
PubChem CID70639787
Molecular FormulaC26H30ClFN4O2
Molecular Weight485.00 g/mol
Exact Mass484.20
IUPAC Name2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(CN1CC(C(=O)N2CCC(c3ccccc3F)CC2)c2ccc(Cl)cc21)N1CCNCC1
InChIInChI=1S/C26H30ClFN4O2/c27-19-5-6-21-22(16-32(24(21)15-19)17-25(33)30-13-9-29-10-14-30)26(34)31-11-7-18(8-12-31)20-3-1-2-4-23(20)28/h1-6,15,18,22,29H,7-14,16-17H2
InChIKeyKEJWTWXBWJTEJB-UHFFFAOYSA-N
XLogP3.22
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone (CID 70639787) is 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone is O=C(CN1CC(C(=O)N2CCC(c3ccccc3F)CC2)c2ccc(Cl)cc21)N1CCNCC1.
What is the InChIKey of 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is KEJWTWXBWJTEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN4O2/c27-19-5-6-21-22(16-32(24(21)15-19)17-25(33)30-13-9-29-10-14-30)26(34)31-11-7-18(8-12-31)20-3-1-2-4-23(20)28/h1-6,15,18,22,29H,7-14,16-17H2.
What are the key properties of 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone?
2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 485.00 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 70639787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).