(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide

C19H23FN4O3 — CID 124994773

IUPAC(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3n2C)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C19H23FN4O3/c1-12(25)24-8-7-23(11-17(24)18(26)21(2)3)19(27)16-10-13-9-14(20)5-6-15(13)22(16)4/h5-6,9-10,17H,7-8,11H2,1-4H3/t17-/m1/s1
InChIKeyQGZJWMMEYCADTO-QGZVFWFLSA-N
MW374.42 g/mol
LogP1.08
Rot. Bonds2

About (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide

(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 124994773) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID124994773
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3n2C)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C19H23FN4O3/c1-12(25)24-8-7-23(11-17(24)18(26)21(2)3)19(27)16-10-13-9-14(20)5-6-15(13)22(16)4/h5-6,9-10,17H,7-8,11H2,1-4H3/t17-/m1/s1
InChIKeyQGZJWMMEYCADTO-QGZVFWFLSA-N
XLogP1.08
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide (CID 124994773) is (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3n2C)C[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is QGZJWMMEYCADTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12(25)24-8-7-23(11-17(24)18(26)21(2)3)19(27)16-10-13-9-14(20)5-6-15(13)22(16)4/h5-6,9-10,17H,7-8,11H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 124994773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).