4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide

C17H21N3O3 — CID 56840017

IUPAC4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCC(OCCO)CC3)c2c1
InChIInChI=1S/C17H21N3O3/c18-17(22)12-1-2-13-10-19-11-16(15(13)9-12)20-5-3-14(4-6-20)23-8-7-21/h1-2,9-11,14,21H,3-8H2,(H2,18,22)
InChIKeyAAMAHMOSWLRXPT-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.31
Rot. Bonds5

About 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide

4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide (PubChem CID 56840017) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide
PubChem CID56840017
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCC(OCCO)CC3)c2c1
InChIInChI=1S/C17H21N3O3/c18-17(22)12-1-2-13-10-19-11-16(15(13)9-12)20-5-3-14(4-6-20)23-8-7-21/h1-2,9-11,14,21H,3-8H2,(H2,18,22)
InChIKeyAAMAHMOSWLRXPT-UHFFFAOYSA-N
XLogP1.31
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide
CID 58495745
4-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]isoquinoline-6-carboxamide;hydrochloride
CID 162326995
4-pyrrolidin-1-ylisoquinoline-6-carboxamide
CID 58495819
4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide
CID 58495781
4-[4-(4-acetylphenyl)piperazin-1-yl]isoquinoline-6-carboxamide
CID 58495716
4-amino-3-[4-(2-hydroxyethoxy)piperidin-1-yl]benzoic acid
CID 82796667
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 105062780
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]isoquinoline-6-carboxamide
CID 58495730
4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
CID 58495776
2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
CID 107490774
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide?
The IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide (CID 56840017) is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide is NC(=O)c1ccc2cncc(N3CCC(OCCO)CC3)c2c1.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide?
The InChIKey is AAMAHMOSWLRXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-17(22)12-1-2-13-10-19-11-16(15(13)9-12)20-5-3-14(4-6-20)23-8-7-21/h1-2,9-11,14,21H,3-8H2,(H2,18,22).
What are the key properties of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide?
4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide is sourced from PubChem (CID 56840017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).