4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide

C25H28FN5O2 — CID 154805799

IUPAC4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide
SMILESCc1noc(CC(NC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c2ccccc2)n1
InChIInChI=1S/C25H28FN5O2/c1-17-27-24(33-29-17)16-22(18-5-3-2-4-6-18)28-25(32)30-12-10-21(11-13-30)31-14-9-19-15-20(26)7-8-23(19)31/h2-8,15,21-22H,9-14,16H2,1H3,(H,28,32)
InChIKeyKKSGCDIPDQMPMS-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.04
Rot. Bonds5

About 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide

4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide (PubChem CID 154805799) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide
PubChem CID154805799
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide
SMILESCc1noc(CC(NC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c2ccccc2)n1
InChIInChI=1S/C25H28FN5O2/c1-17-27-24(33-29-17)16-22(18-5-3-2-4-6-18)28-25(32)30-12-10-21(11-13-30)31-14-9-19-15-20(26)7-8-23(19)31/h2-8,15,21-22H,9-14,16H2,1H3,(H,28,32)
InChIKeyKKSGCDIPDQMPMS-UHFFFAOYSA-N
XLogP4.04
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide (CID 154805799) is 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide is Cc1noc(CC(NC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c2ccccc2)n1.
What is the InChIKey of 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide?
The InChIKey is KKSGCDIPDQMPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-17-27-24(33-29-17)16-22(18-5-3-2-4-6-18)28-25(32)30-12-10-21(11-13-30)31-14-9-19-15-20(26)7-8-23(19)31/h2-8,15,21-22H,9-14,16H2,1H3,(H,28,32).
What are the key properties of 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide?
4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 154805799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).