1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C19H22BrFN4O2 — CID 86882605

IUPAC1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CC1
InChIInChI=1S/C19H22BrFN4O2/c20-11-8-14(21)13-10-16(23-15(13)9-11)19(27)24-6-3-12(4-7-24)25-5-1-2-17(25)18(22)26/h8-10,12,17,23H,1-7H2,(H2,22,26)
InChIKeyQVTRGBNYGGMQQA-UHFFFAOYSA-N
MW437.31 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 86882605) has the molecular formula C19H22BrFN4O2 and a molecular weight of 437.31 g/mol. Its IUPAC name is 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID86882605
Molecular FormulaC19H22BrFN4O2
Molecular Weight437.31 g/mol
Exact Mass436.09
IUPAC Name1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CC1
InChIInChI=1S/C19H22BrFN4O2/c20-11-8-14(21)13-10-16(23-15(13)9-11)19(27)24-6-3-12(4-7-24)25-5-1-2-17(25)18(22)26/h8-10,12,17,23H,1-7H2,(H2,22,26)
InChIKeyQVTRGBNYGGMQQA-UHFFFAOYSA-N
XLogP2.62
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 125132752
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 136547926
1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259214
(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95765435
(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94821970
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139002167
1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 119135616
6-bromo-4-fluoro-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-indole-2-carboxamide
CID 86935325
1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101239
(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94812898
(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958830
(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94822612

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 86882605) is 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CC1.
What is the InChIKey of 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is QVTRGBNYGGMQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN4O2/c20-11-8-14(21)13-10-16(23-15(13)9-11)19(27)24-6-3-12(4-7-24)25-5-1-2-17(25)18(22)26/h8-10,12,17,23H,1-7H2,(H2,22,26).
What are the key properties of 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 437.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86882605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).