6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one

C18H22N2O — CID 145201197

IUPAC6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one
SMILESO=c1c2ccc(C3CC3)cc2ccn1CC1CCCNC1
InChIInChI=1S/C18H22N2O/c21-18-17-6-5-15(14-3-4-14)10-16(17)7-9-20(18)12-13-2-1-8-19-11-13/h5-7,9-10,13-14,19H,1-4,8,11-12H2
InChIKeySELRYOPGSUUBDZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.88
Rot. Bonds3

About 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one

6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one (PubChem CID 145201197) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one
PubChem CID145201197
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one
SMILESO=c1c2ccc(C3CC3)cc2ccn1CC1CCCNC1
InChIInChI=1S/C18H22N2O/c21-18-17-6-5-15(14-3-4-14)10-16(17)7-9-20(18)12-13-2-1-8-19-11-13/h5-7,9-10,13-14,19H,1-4,8,11-12H2
InChIKeySELRYOPGSUUBDZ-UHFFFAOYSA-N
XLogP2.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one 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

6-fluoro-2-(piperidin-4-ylmethyl)isoquinolin-1-one
CID 82151065
2-(piperidin-4-ylmethyl)-6-propoxyisoquinolin-1-one
CID 82151062
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 82151139
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172910434
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172657245
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262886
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172670374
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one?
The IUPAC name of 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one (CID 145201197) is 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one.
What is the SMILES notation for 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one?
The canonical SMILES for 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one is O=c1c2ccc(C3CC3)cc2ccn1CC1CCCNC1.
What is the InChIKey of 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one?
The InChIKey is SELRYOPGSUUBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-17-6-5-15(14-3-4-14)10-16(17)7-9-20(18)12-13-2-1-8-19-11-13/h5-7,9-10,13-14,19H,1-4,8,11-12H2.
What are the key properties of 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one?
6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one has a molecular weight of 282.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one is sourced from PubChem (CID 145201197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).