isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone

C16H18N2O — CID 114278955

IUPACisoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone
SMILESCC1CNCCC1C(=O)c1cccc2cnccc12
InChIInChI=1S/C16H18N2O/c1-11-9-17-7-5-13(11)16(19)15-4-2-3-12-10-18-8-6-14(12)15/h2-4,6,8,10-11,13,17H,5,7,9H2,1H3
InChIKeyGUVDGNSJTVJGGY-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.66
Rot. Bonds2

About isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone

isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone (PubChem CID 114278955) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone
PubChem CID114278955
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nameisoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone
SMILESCC1CNCCC1C(=O)c1cccc2cnccc12
InChIInChI=1S/C16H18N2O/c1-11-9-17-7-5-13(11)16(19)15-4-2-3-12-10-18-8-6-14(12)15/h2-4,6,8,10-11,13,17H,5,7,9H2,1H3
InChIKeyGUVDGNSJTVJGGY-UHFFFAOYSA-N
XLogP2.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone
CID 116592253
isoquinolin-5-yl-(2-methyloxolan-3-yl)methanone
CID 114970982
isoquinolin-5-yl-(2-phenylcyclopropyl)methanone
CID 114970918
1-isoquinolin-5-yl-2-piperidin-3-ylethanone
CID 116564336
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301
(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone
CID 114278961
5-pyrrolidin-3-ylisoquinoline
CID 82607299
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
(2S,3S,6R)-1-(isoquinoline-5-carbonyl)-2,6-dimethylpiperidine-3-carboxylic acid
CID 167876887
1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
CID 120554698
3-(isoquinoline-5-carbonyl)-4-phenylpyrrolidine-1-carboxylic acid
CID 166790511
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone?
The IUPAC name of isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone (CID 114278955) is isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone.
What is the SMILES notation for isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone?
The canonical SMILES for isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone is CC1CNCCC1C(=O)c1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone?
The InChIKey is GUVDGNSJTVJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-9-17-7-5-13(11)16(19)15-4-2-3-12-10-18-8-6-14(12)15/h2-4,6,8,10-11,13,17H,5,7,9H2,1H3.
What are the key properties of isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone?
isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 114278955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).