4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide

C23H22N6O — CID 166229437

IUPAC4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)N1CCC(c2cccc3cnccc23)CC1
InChIInChI=1S/C23H22N6O/c30-23(27-19-4-6-20(7-5-19)29-25-12-13-26-29)28-14-9-17(10-15-28)21-3-1-2-18-16-24-11-8-22(18)21/h1-8,11-13,16-17H,9-10,14-15H2,(H,27,30)
InChIKeyOPDDALHPGHLFLC-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.23
Rot. Bonds3

About 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide

4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 166229437) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID166229437
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)N1CCC(c2cccc3cnccc23)CC1
InChIInChI=1S/C23H22N6O/c30-23(27-19-4-6-20(7-5-19)29-25-12-13-26-29)28-14-9-17(10-15-28)21-3-1-2-18-16-24-11-8-22(18)21/h1-8,11-13,16-17H,9-10,14-15H2,(H,27,30)
InChIKeyOPDDALHPGHLFLC-UHFFFAOYSA-N
XLogP4.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-isoquinolin-5-ylcyclohexan-1-one
CID 83262300
4-(3,4-dimethylphenyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 10067089
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 23071923
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 46182544
N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 166262556
N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97435446
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438215

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide (CID 166229437) is 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(-n2nccn2)cc1)N1CCC(c2cccc3cnccc23)CC1.
What is the InChIKey of 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is OPDDALHPGHLFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(27-19-4-6-20(7-5-19)29-25-12-13-26-29)28-14-9-17(10-15-28)21-3-1-2-18-16-24-11-8-22(18)21/h1-8,11-13,16-17H,9-10,14-15H2,(H,27,30).
What are the key properties of 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide?
4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-5-yl-N-[4-(triazol-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166229437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).