7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide

C17H20FN3O — CID 155952445

IUPAC7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide
SMILESO=C(NCCC1CCCNC1)c1c(F)ccc2ccncc12
InChIInChI=1S/C17H20FN3O/c18-15-4-3-13-6-8-20-11-14(13)16(15)17(22)21-9-5-12-2-1-7-19-10-12/h3-4,6,8,11-12,19H,1-2,5,7,9-10H2,(H,21,22)
InChIKeyGQTIFDPQZCBJET-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.49
Rot. Bonds4

About 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide

7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide (PubChem CID 155952445) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide
PubChem CID155952445
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide
SMILESO=C(NCCC1CCCNC1)c1c(F)ccc2ccncc12
InChIInChI=1S/C17H20FN3O/c18-15-4-3-13-6-8-20-11-14(13)16(15)17(22)21-9-5-12-2-1-7-19-10-12/h3-4,6,8,11-12,19H,1-2,5,7,9-10H2,(H,21,22)
InChIKeyGQTIFDPQZCBJET-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
CID 103806776
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide?
The IUPAC name of 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide (CID 155952445) is 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide is O=C(NCCC1CCCNC1)c1c(F)ccc2ccncc12.
What is the InChIKey of 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide?
The InChIKey is GQTIFDPQZCBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-4-3-13-6-8-20-11-14(13)16(15)17(22)21-9-5-12-2-1-7-19-10-12/h3-4,6,8,11-12,19H,1-2,5,7,9-10H2,(H,21,22).
What are the key properties of 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide?
7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide is sourced from PubChem (CID 155952445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).