2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

C28H32FN3O4 — CID 20763798

IUPAC2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C
InChIInChI=1S/C28H32FN3O4/c1-5-36-25-16-24-21(23(17-31(24)4)26(33)28(35)30(2)3)15-22(25)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18/h6-9,15-17,19H,5,10-14H2,1-4H3
InChIKeyPVLTXQIQPCNPIA-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.08
Rot. Bonds7

About 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 20763798) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID20763798
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC Name2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C
InChIInChI=1S/C28H32FN3O4/c1-5-36-25-16-24-21(23(17-31(24)4)26(33)28(35)30(2)3)15-22(25)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18/h6-9,15-17,19H,5,10-14H2,1-4H3
InChIKeyPVLTXQIQPCNPIA-UHFFFAOYSA-N
XLogP4.08
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 20763798) is 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is CCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C.
What is the InChIKey of 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is PVLTXQIQPCNPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-5-36-25-16-24-21(23(17-31(24)4)26(33)28(35)30(2)3)15-22(25)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18/h6-9,15-17,19H,5,10-14H2,1-4H3.
What are the key properties of 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 493.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 20763798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).