(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate

C22H23N3O2 — CID 70442897

IUPAC(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(NC(=O)Oc2cnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H23N3O2/c1-25-13-11-17(12-14-25)24-22(26)27-20-15-23-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-10,15,17H,11-14H2,1H3,(H,24,26)
InChIKeyHASUXIXJNZKFAX-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.08
Rot. Bonds3

About (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate

(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 70442897) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate
PubChem CID70442897
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(NC(=O)Oc2cnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H23N3O2/c1-25-13-11-17(12-14-25)24-22(26)27-20-15-23-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-10,15,17H,11-14H2,1H3,(H,24,26)
InChIKeyHASUXIXJNZKFAX-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
CID 137066588
(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate
CID 130337842
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea
CID 122143487
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088

Frequently Asked Questions

What is the IUPAC name of (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate (CID 70442897) is (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(NC(=O)Oc2cnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is HASUXIXJNZKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25-13-11-17(12-14-25)24-22(26)27-20-15-23-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-10,15,17H,11-14H2,1H3,(H,24,26).
What are the key properties of (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 361.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 70442897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).