N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide

C22H22ClN3O2 — CID 155544056

IUPACN-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nccc4ccccc34)CC2)cc1Cl
InChIInChI=1S/C22H22ClN3O2/c1-28-20-7-6-17(14-19(20)23)25-22(27)16-9-12-26(13-10-16)21-18-5-3-2-4-15(18)8-11-24-21/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,25,27)
InChIKeyCWNRKBOPDKQBCT-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.75
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide (PubChem CID 155544056) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
PubChem CID155544056
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nccc4ccccc34)CC2)cc1Cl
InChIInChI=1S/C22H22ClN3O2/c1-28-20-7-6-17(14-19(20)23)25-22(27)16-9-12-26(13-10-16)21-18-5-3-2-4-15(18)8-11-24-21/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,25,27)
InChIKeyCWNRKBOPDKQBCT-UHFFFAOYSA-N
XLogP4.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 155546978
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
N-(3-chloro-4-methoxyphenyl)-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 155537366
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 155539322
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 155538063
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 155512656
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide (CID 155544056) is N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nccc4ccccc34)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide?
The InChIKey is CWNRKBOPDKQBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-28-20-7-6-17(14-19(20)23)25-22(27)16-9-12-26(13-10-16)21-18-5-3-2-4-15(18)8-11-24-21/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155544056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).