1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide

C18H21FN4O3 — CID 110086615

IUPAC1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C(C)=O
InChIInChI=1S/C18H21FN4O3/c1-11(24)23-7-6-22(10-16(23)17(25)20-2)18(26)15-9-12-8-13(19)4-5-14(12)21(15)3/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,20,25)
InChIKeyMUURHACGAIKFKW-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.74
Rot. Bonds2

About 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide

1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide (PubChem CID 110086615) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
PubChem CID110086615
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C(C)=O
InChIInChI=1S/C18H21FN4O3/c1-11(24)23-7-6-22(10-16(23)17(25)20-2)18(26)15-9-12-8-13(19)4-5-14(12)21(15)3/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,20,25)
InChIKeyMUURHACGAIKFKW-UHFFFAOYSA-N
XLogP0.74
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide (CID 110086615) is 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C(C)=O.
What is the InChIKey of 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is MUURHACGAIKFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-11(24)23-7-6-22(10-16(23)17(25)20-2)18(26)15-9-12-8-13(19)4-5-14(12)21(15)3/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,20,25).
What are the key properties of 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 110086615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).