cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone

C24H25N3O — CID 59534838

IUPACcyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1
InChIInChI=1S/C24H25N3O/c28-24(18-6-7-18)27-12-9-21(10-13-27)26-23-15-20(17-4-2-1-3-5-17)14-19-8-11-25-16-22(19)23/h1-5,8,11,14-16,18,21,26H,6-7,9-10,12-13H2
InChIKeyVCSNCTBWBKFPHL-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.71
Rot. Bonds4

About cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone

cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone (PubChem CID 59534838) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone
PubChem CID59534838
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Namecyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1
InChIInChI=1S/C24H25N3O/c28-24(18-6-7-18)27-12-9-21(10-13-27)26-23-15-20(17-4-2-1-3-5-17)14-19-8-11-25-16-22(19)23/h1-5,8,11,14-16,18,21,26H,6-7,9-10,12-13H2
InChIKeyVCSNCTBWBKFPHL-UHFFFAOYSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[8-[[1-(3-cyanobenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534932
cyclobutyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;cyclopropyl-[4-[[6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-yl]amino]piperidin-1-yl]methanone;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158549113
N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide
CID 59534943
3-[8-[[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535325
2-[4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]piperidin-1-yl]acetic acid
CID 67403874
3-[8-[[1-(2,6-dimethylpyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535140
3-[8-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 45274862
4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 45275641
3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 45274242
3-[8-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535005
3-[8-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534806
6-pyridin-3-yl-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 45274758

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone (CID 59534838) is cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1.
What is the InChIKey of cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone?
The InChIKey is VCSNCTBWBKFPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(18-6-7-18)27-12-9-21(10-13-27)26-23-15-20(17-4-2-1-3-5-17)14-19-8-11-25-16-22(19)23/h1-5,8,11,14-16,18,21,26H,6-7,9-10,12-13H2.
What are the key properties of cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(6-phenylisoquinolin-8-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 59534838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).