4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide

C18H18FN5O2 — CID 128988856

IUPAC4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide
SMILESCn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H18FN5O2/c1-24-9-20-8-15(24)17-13(5-6-16(25)23-17)22-18(26)14-7-10-11(19)3-2-4-12(10)21-14/h2-4,7-9,13,17,21H,5-6H2,1H3,(H,22,26)(H,23,25)/t13-,17-/m1/s1
InChIKeyUWYWAPBYARFWRL-CXAGYDPISA-N
MW355.37 g/mol
LogP1.79
Rot. Bonds3

About 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide

4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 128988856) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID128988856
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide
SMILESCn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H18FN5O2/c1-24-9-20-8-15(24)17-13(5-6-16(25)23-17)22-18(26)14-7-10-11(19)3-2-4-12(10)21-14/h2-4,7-9,13,17,21H,5-6H2,1H3,(H,22,26)(H,23,25)/t13-,17-/m1/s1
InChIKeyUWYWAPBYARFWRL-CXAGYDPISA-N
XLogP1.79
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide (CID 128988856) is 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide is Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is UWYWAPBYARFWRL-CXAGYDPISA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-24-9-20-8-15(24)17-13(5-6-16(25)23-17)22-18(26)14-7-10-11(19)3-2-4-12(10)21-14/h2-4,7-9,13,17,21H,5-6H2,1H3,(H,22,26)(H,23,25)/t13-,17-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide?
4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 128988856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).