N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C20H27FN4O2 — CID 120881024

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C20H27FN4O2/c21-18-16-7-8-22-12-14(16)5-6-17(18)23-19(26)15-4-3-11-25(13-15)20(27)24-9-1-2-10-24/h5-6,15,22H,1-4,7-13H2,(H,23,26)
InChIKeyVOIWCCVYIJBILX-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.34
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 120881024) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID120881024
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C20H27FN4O2/c21-18-16-7-8-22-12-14(16)5-6-17(18)23-19(26)15-4-3-11-25(13-15)20(27)24-9-1-2-10-24/h5-6,15,22H,1-4,7-13H2,(H,23,26)
InChIKeyVOIWCCVYIJBILX-UHFFFAOYSA-N
XLogP2.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-3-carboxamide
CID 120881624
1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120880947
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
1-butanoyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-4-carboxamide
CID 120881672
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 120882102
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120883994
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-oxopiperidine-3-carboxamide
CID 120883928
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120883993
1-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120881653
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 120881024) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is VOIWCCVYIJBILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c21-18-16-7-8-22-12-14(16)5-6-17(18)23-19(26)15-4-3-11-25(13-15)20(27)24-9-1-2-10-24/h5-6,15,22H,1-4,7-13H2,(H,23,26).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 120881024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).