N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119307988

IUPACN-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-12(6-3-7-16-14)18-15(20)13-8-10-4-1-2-5-11(10)9-17-13;/h1-2,4-5,12-13,17H,3,6-9H2,(H,16,19)(H,18,20);1H
InChIKeySZGGKHGLKAUWED-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.52
Rot. Bonds2

About N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119307988) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119307988
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-12(6-3-7-16-14)18-15(20)13-8-10-4-1-2-5-11(10)9-17-13;/h1-2,4-5,12-13,17H,3,6-9H2,(H,16,19)(H,18,20);1H
InChIKeySZGGKHGLKAUWED-UHFFFAOYSA-N
XLogP0.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887963
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CID 75064302
(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 79524266
(3S)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106255764
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106187443
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
(3S)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896639
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185707
N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901257
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119274638

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119307988) is N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is SZGGKHGLKAUWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-14-12(6-3-7-16-14)18-15(20)13-8-10-4-1-2-5-11(10)9-17-13;/h1-2,4-5,12-13,17H,3,6-9H2,(H,16,19)(H,18,20);1H.
What are the key properties of N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119307988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).