N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide

C19H25N3O — CID 166280089

IUPACN-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)Nc2cc3ccccc3cn2)CC1
InChIInChI=1S/C19H25N3O/c1-14(2)13-22-9-7-15(8-10-22)19(23)21-18-11-16-5-3-4-6-17(16)12-20-18/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,20,21,23)
InChIKeyFCUOZIAFBNAYGL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.54
Rot. Bonds4

About N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide

N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 166280089) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID166280089
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)Nc2cc3ccccc3cn2)CC1
InChIInChI=1S/C19H25N3O/c1-14(2)13-22-9-7-15(8-10-22)19(23)21-18-11-16-5-3-4-6-17(16)12-20-18/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,20,21,23)
InChIKeyFCUOZIAFBNAYGL-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 166702389
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276
4-hexyl-N-isoquinolin-3-ylcyclohexane-1-carboxamide
CID 3603758
1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide
CID 166378583
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 168926332
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide (CID 166280089) is N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)Nc2cc3ccccc3cn2)CC1.
What is the InChIKey of N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is FCUOZIAFBNAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)13-22-9-7-15(8-10-22)19(23)21-18-11-16-5-3-4-6-17(16)12-20-18/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,20,21,23).
What are the key properties of N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide?
N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 166280089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).