3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C25H32ClN3O2 — CID 67679333

IUPAC3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc4c3CCNC4)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C25H32ClN3O2/c1-24(2)13-18(14-25(3,4)29-24)28-23(30)16-8-9-22(20(26)12-16)31-21-7-5-6-17-15-27-11-10-19(17)21/h5-9,12,18,27,29H,10-11,13-15H2,1-4H3,(H,28,30)
InChIKeyNNENODNRLYDEKP-UHFFFAOYSA-N
MW442.00 g/mol
LogP4.82
Rot. Bonds4

About 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679333) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67679333
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC Name3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc4c3CCNC4)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C25H32ClN3O2/c1-24(2)13-18(14-25(3,4)29-24)28-23(30)16-8-9-22(20(26)12-16)31-21-7-5-6-17-15-27-11-10-19(17)21/h5-9,12,18,27,29H,10-11,13-15H2,1-4H3,(H,28,30)
InChIKeyNNENODNRLYDEKP-UHFFFAOYSA-N
XLogP4.82
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.00
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

3-chloro-4-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678992
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
3-chloro-4-[2-(1-hydroxyethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679606
3-chloro-4-[2-(phenylcarbamoyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679341
4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679263
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
CID 67679483
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-2-carboxylate
CID 67679627
3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123882526
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678986
3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679152
3-chloro-4-[2-cyano-3-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123404581

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679333) is 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3cccc4c3CCNC4)c(Cl)c2)CC(C)(C)N1.
What is the InChIKey of 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is NNENODNRLYDEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-24(2)13-18(14-25(3,4)29-24)28-23(30)16-8-9-22(20(26)12-16)31-21-7-5-6-17-15-27-11-10-19(17)21/h5-9,12,18,27,29H,10-11,13-15H2,1-4H3,(H,28,30).
What are the key properties of 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 442.00 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).