1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid

C15H17N3O2 — CID 61404040

IUPAC1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid
SMILESNC1CCCN(c2nc(C(=O)O)cc3ccccc23)C1
InChIInChI=1S/C15H17N3O2/c16-11-5-3-7-18(9-11)14-12-6-2-1-4-10(12)8-13(17-14)15(19)20/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,19,20)
InChIKeyRKVVIQYFDSEONP-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.86
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid

1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid (PubChem CID 61404040) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid
PubChem CID61404040
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid
SMILESNC1CCCN(c2nc(C(=O)O)cc3ccccc23)C1
InChIInChI=1S/C15H17N3O2/c16-11-5-3-7-18(9-11)14-12-6-2-1-4-10(12)8-13(17-14)15(19)20/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,19,20)
InChIKeyRKVVIQYFDSEONP-UHFFFAOYSA-N
XLogP1.86
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-ylisoquinoline-3-carboxylic acid
CID 43343329
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)isoquinoline-3-carboxylic acid
CID 115560176
1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid
CID 43343423
1-(4-ethylpiperidin-1-yl)isoquinoline-3-carboxylic acid
CID 61421652
1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-3-carboxylic acid
CID 43343434
1-(2-methylpyrrolidin-1-yl)isoquinoline-3-carboxylic acid
CID 54882410
3-[(3R)-3-aminopiperidin-1-yl]-2H-isoquinolin-1-one
CID 102986196
1-[2-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid
CID 61407165
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid?
The IUPAC name of 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid (CID 61404040) is 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid is NC1CCCN(c2nc(C(=O)O)cc3ccccc23)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid?
The InChIKey is RKVVIQYFDSEONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-11-5-3-7-18(9-11)14-12-6-2-1-4-10(12)8-13(17-14)15(19)20/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,19,20).
What are the key properties of 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid?
1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid is sourced from PubChem (CID 61404040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).