1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide

C23H24ClN3O — CID 11646870

IUPAC1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide
SMILESCc1nccc2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)ccc12
InChIInChI=1S/C23H24ClN3O/c1-16-22-7-6-21(14-19(22)8-11-25-16)26-23(28)18-9-12-27(13-10-18)15-17-2-4-20(24)5-3-17/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,26,28)
InChIKeyFUYHLGMUGQKEKA-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.05
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide (PubChem CID 11646870) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide
PubChem CID11646870
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide
SMILESCc1nccc2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)ccc12
InChIInChI=1S/C23H24ClN3O/c1-16-22-7-6-21(14-19(22)8-11-25-16)26-23(28)18-9-12-27(13-10-18)15-17-2-4-20(24)5-3-17/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,26,28)
InChIKeyFUYHLGMUGQKEKA-UHFFFAOYSA-N
XLogP5.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021390
1-[(4-chlorophenyl)methyl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)piperidine-4-carboxamide
CID 44591502
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
1-[(4-bromophenyl)methyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43921575
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide (CID 11646870) is 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide is Cc1nccc2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)ccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide?
The InChIKey is FUYHLGMUGQKEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-16-22-7-6-21(14-19(22)8-11-25-16)26-23(28)18-9-12-27(13-10-18)15-17-2-4-20(24)5-3-17/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,26,28).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11646870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).