(1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate

C22H23N3O2 — CID 58018309

IUPAC(1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate
SMILESO=C(Nc1cccc2cnccc12)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(24-21-8-4-7-18-15-23-12-9-20(18)21)27-19-10-13-25(14-11-19)16-17-5-2-1-3-6-17/h1-9,12,15,19H,10-11,13-14,16H2,(H,24,26)
InChIKeyILPHGKLSHUNZFR-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.45
Rot. Bonds4

About (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate

(1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate (PubChem CID 58018309) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate
PubChem CID58018309
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate
SMILESO=C(Nc1cccc2cnccc12)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(24-21-8-4-7-18-15-23-12-9-20(18)21)27-19-10-13-25(14-11-19)16-17-5-2-1-3-6-17/h1-9,12,15,19H,10-11,13-14,16H2,(H,24,26)
InChIKeyILPHGKLSHUNZFR-UHFFFAOYSA-N
XLogP4.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate?
The IUPAC name of (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate (CID 58018309) is (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate?
The canonical SMILES for (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate is O=C(Nc1cccc2cnccc12)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate?
The InChIKey is ILPHGKLSHUNZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(24-21-8-4-7-18-15-23-12-9-20(18)21)27-19-10-13-25(14-11-19)16-17-5-2-1-3-6-17/h1-9,12,15,19H,10-11,13-14,16H2,(H,24,26).
What are the key properties of (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate?
(1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate has a molecular weight of 361.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) N-isoquinolin-5-ylcarbamate is sourced from PubChem (CID 58018309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).