1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

C23H25N3O3S — CID 42476381

IUPAC1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C23H25N3O3S/c27-23(25-14-9-18-5-2-1-3-6-18)19-11-15-26(16-12-19)30(28,29)22-8-4-7-20-17-24-13-10-21(20)22/h1-8,10,13,17,19H,9,11-12,14-16H2,(H,25,27)
InChIKeyAHVBFZWVZLOVKG-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.99
Rot. Bonds6

About 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 42476381) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID42476381
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1
InChIInChI=1S/C23H25N3O3S/c27-23(25-14-9-18-5-2-1-3-6-18)19-11-15-26(16-12-19)30(28,29)22-8-4-7-20-17-24-13-10-21(20)22/h1-8,10,13,17,19H,9,11-12,14-16H2,(H,25,27)
InChIKeyAHVBFZWVZLOVKG-UHFFFAOYSA-N
XLogP2.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
5-[4-(chloromethyl)piperidin-1-yl]sulfonylisoquinoline
CID 63400965
1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
CID 68844705
N-(2-pyridin-3-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 39560041
2-chloro-1-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 167952786
2-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)acetic acid
CID 64616827
benzyl 4-isoquinolin-5-ylsulfonyl-1,4-diazepane-1-carboxylate
CID 66554217
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 53085488
1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22549897
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 42476381) is 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1.
What is the InChIKey of 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is AHVBFZWVZLOVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23(25-14-9-18-5-2-1-3-6-18)19-11-15-26(16-12-19)30(28,29)22-8-4-7-20-17-24-13-10-21(20)22/h1-8,10,13,17,19H,9,11-12,14-16H2,(H,25,27).
What are the key properties of 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42476381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).