3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one

C19H25FN4O2 — CID 110611582

IUPAC3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C19H25FN4O2/c1-13-18(15-12-14(20)4-5-16(15)21-13)19(26)24-10-8-23(9-11-24)17(25)6-7-22(2)3/h4-5,12,21H,6-11H2,1-3H3
InChIKeyHNEFDWZINPCJEI-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.85
Rot. Bonds4

About 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one

3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 110611582) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID110611582
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C19H25FN4O2/c1-13-18(15-12-14(20)4-5-16(15)21-13)19(26)24-10-8-23(9-11-24)17(25)6-7-22(2)3/h4-5,12,21H,6-11H2,1-3H3
InChIKeyHNEFDWZINPCJEI-UHFFFAOYSA-N
XLogP1.85
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849017
(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 110833669
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 86832887
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-oxoacetic acid
CID 10127085
ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate
CID 31896980
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 113211873
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 110603342
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 42534943

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one (CID 110611582) is 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one is Cc1[nH]c2ccc(F)cc2c1C(=O)N1CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is HNEFDWZINPCJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13-18(15-12-14(20)4-5-16(15)21-13)19(26)24-10-8-23(9-11-24)17(25)6-7-22(2)3/h4-5,12,21H,6-11H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 360.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110611582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).