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

C17H21FN4O2 — CID 125017209

IUPAC(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C
InChIInChI=1S/C17H21FN4O2/c1-19-16(23)15-10-22(7-6-20(15)2)17(24)14-9-11-8-12(18)4-5-13(11)21(14)3/h4-5,8-9,15H,6-7,10H2,1-3H3,(H,19,23)/t15-/m0/s1
InChIKeyXFTKTJCWEBNLBK-HNNXBMFYSA-N
MW332.38 g/mol
LogP0.82
Rot. Bonds2

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

(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 125017209) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
PubChem CID125017209
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C
InChIInChI=1S/C17H21FN4O2/c1-19-16(23)15-10-22(7-6-20(15)2)17(24)14-9-11-8-12(18)4-5-13(11)21(14)3/h4-5,8-9,15H,6-7,10H2,1-3H3,(H,19,23)/t15-/m0/s1
InChIKeyXFTKTJCWEBNLBK-HNNXBMFYSA-N
XLogP0.82
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086615
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124982107
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
CID 125008346
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 110086619
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124994773
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
N-[(3S,3aR,7aS)-5-(5-fluoro-1-methylindole-2-carbonyl)-2-methyl-3-phenyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]acetamide
CID 110137690
N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide
CID 121451737
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide (CID 125017209) is (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C.
What is the InChIKey of (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is XFTKTJCWEBNLBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-19-16(23)15-10-22(7-6-20(15)2)17(24)14-9-11-8-12(18)4-5-13(11)21(14)3/h4-5,8-9,15H,6-7,10H2,1-3H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide?
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 125017209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).