8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide

C17H17FN4O — CID 23582568

IUPAC8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C17H17FN4O/c18-10-4-5-13-11(8-10)14-15(21-13)12(16(19)23)9-20-17(14)22-6-2-1-3-7-22/h4-5,8-9,21H,1-3,6-7H2,(H2,19,23)
InChIKeyMMGYQTOTWDVWKG-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.94
Rot. Bonds2

About 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide

8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582568) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582568
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C17H17FN4O/c18-10-4-5-13-11(8-10)14-15(21-13)12(16(19)23)9-20-17(14)22-6-2-1-3-7-22/h4-5,8-9,21H,1-3,6-7H2,(H2,19,23)
InChIKeyMMGYQTOTWDVWKG-UHFFFAOYSA-N
XLogP2.94
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582568) is 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(N2CCCCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is MMGYQTOTWDVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-10-4-5-13-11(8-10)14-15(21-13)12(16(19)23)9-20-17(14)22-6-2-1-3-7-22/h4-5,8-9,21H,1-3,6-7H2,(H2,19,23).
What are the key properties of 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).