N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride

C16H20ClN3O2 — CID 120598863

IUPACN-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCN1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-10-8-12(6-7-17-10)18-16(21)14-9-11-4-2-3-5-13(11)15(20)19-14;/h2-5,9-10,12,17H,6-8H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyYKPASZZIZCPBQP-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.82
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride (PubChem CID 120598863) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
PubChem CID120598863
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCN1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-10-8-12(6-7-17-10)18-16(21)14-9-11-4-2-3-5-13(11)15(20)19-14;/h2-5,9-10,12,17H,6-8H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyYKPASZZIZCPBQP-UHFFFAOYSA-N
XLogP1.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
CID 119449475
N-(3-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120557419
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855
N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 106995225
N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-(2-methylpiperidin-4-yl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120600973
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
N-[2-(cycloheptylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 119619169

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride (CID 120598863) is N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride is CC1CC(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride?
The InChIKey is YKPASZZIZCPBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-10-8-12(6-7-17-10)18-16(21)14-9-11-4-2-3-5-13(11)15(20)19-14;/h2-5,9-10,12,17H,6-8H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 120598863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).