(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

C15H20N2O — CID 65262533

IUPAC(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C15H20N2O/c1-11-6-7-17(10-11)15(18)14-9-16-8-12-4-2-3-5-13(12)14/h2-5,11,14,16H,6-10H2,1H3
InChIKeyADWHHCHJMDZVCW-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.74
Rot. Bonds1

About (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (PubChem CID 65262533) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
PubChem CID65262533
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C15H20N2O/c1-11-6-7-17(10-11)15(18)14-9-16-8-12-4-2-3-5-13(12)14/h2-5,11,14,16H,6-10H2,1H3
InChIKeyADWHHCHJMDZVCW-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 107217468
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65281483
(1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260608
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455
1,2,3,4-tetrahydroisoquinolin-4-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 65262062
3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102780440
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (CID 65262533) is (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is CC1CCN(C(=O)C2CNCc3ccccc32)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The InChIKey is ADWHHCHJMDZVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-7-17(10-11)15(18)14-9-16-8-12-4-2-3-5-13(12)14/h2-5,11,14,16H,6-10H2,1H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is sourced from PubChem (CID 65262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).