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

C32H41FN4O4 — CID 58919629

IUPAC2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCN(CC)CCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21
InChIInChI=1S/C32H41FN4O4/c1-6-35(7-2)16-17-37-21-27(30(38)32(40)34(3)4)25-19-26(29(41-5)20-28(25)37)31(39)36-14-12-23(13-15-36)18-22-8-10-24(33)11-9-22/h8-11,19-21,23H,6-7,12-18H2,1-5H3
InChIKeyZJFLJRVJFOTAGS-UHFFFAOYSA-N
MW564.70 g/mol
LogP4.50
Rot. Bonds11

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

2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 58919629) has the molecular formula C32H41FN4O4 and a molecular weight of 564.70 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID58919629
Molecular FormulaC32H41FN4O4
Molecular Weight564.70 g/mol
Exact Mass564.31
IUPAC Name2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCCN(CC)CCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21
InChIInChI=1S/C32H41FN4O4/c1-6-35(7-2)16-17-37-21-27(30(38)32(40)34(3)4)25-19-26(29(41-5)20-28(25)37)31(39)36-14-12-23(13-15-36)18-22-8-10-24(33)11-9-22/h8-11,19-21,23H,6-7,12-18H2,1-5H3
InChIKeyZJFLJRVJFOTAGS-UHFFFAOYSA-N
XLogP4.50
TPSA75.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.70
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 58919629) is 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide is CCN(CC)CCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.
What is the InChIKey of 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is ZJFLJRVJFOTAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN4O4/c1-6-35(7-2)16-17-37-21-27(30(38)32(40)34(3)4)25-19-26(29(41-5)20-28(25)37)31(39)36-14-12-23(13-15-36)18-22-8-10-24(33)11-9-22/h8-11,19-21,23H,6-7,12-18H2,1-5H3.
What are the key properties of 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 564.70 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 58919629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).