4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one

C15H20N2O — CID 156565209

IUPAC4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one
SMILESCC1CCN(c2cccc3c2CCNC3)C(=O)C1
InChIInChI=1S/C15H20N2O/c1-11-6-8-17(15(18)9-11)14-4-2-3-12-10-16-7-5-13(12)14/h2-4,11,16H,5-10H2,1H3
InChIKeyCZMJZGQXQSIWTP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds1

About 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one

4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one (PubChem CID 156565209) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one
PubChem CID156565209
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one
SMILESCC1CCN(c2cccc3c2CCNC3)C(=O)C1
InChIInChI=1S/C15H20N2O/c1-11-6-8-17(15(18)9-11)14-4-2-3-12-10-16-7-5-13(12)14/h2-4,11,16H,5-10H2,1H3
InChIKeyCZMJZGQXQSIWTP-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
CID 81218098
5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81214550
8-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114491149
5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81215388
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
CID 81218105
5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557490
5-[4-(oxetan-3-yl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 146398294
4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,4-oxazepane
CID 81215541
5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81218421
(4-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612615
5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81214746

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one?
The IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one (CID 156565209) is 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one.
What is the SMILES notation for 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one?
The canonical SMILES for 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one is CC1CCN(c2cccc3c2CCNC3)C(=O)C1.
What is the InChIKey of 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one?
The InChIKey is CZMJZGQXQSIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-8-17(15(18)9-11)14-4-2-3-12-10-16-7-5-13(12)14/h2-4,11,16H,5-10H2,1H3.
What are the key properties of 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one?
4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one is sourced from PubChem (CID 156565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).