1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide

C15H21N3O — CID 172702565

IUPAC1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCCc3cnccc32)CC1
InChIInChI=1S/C15H21N3O/c16-15(19)11-5-8-18(9-6-11)14-3-1-2-12-10-17-7-4-13(12)14/h4,7,10-11,14H,1-3,5-6,8-9H2,(H2,16,19)
InChIKeyDDUJIIXRDWEIOO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.66
Rot. Bonds2

About 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide

1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide (PubChem CID 172702565) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide
PubChem CID172702565
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCCc3cnccc32)CC1
InChIInChI=1S/C15H21N3O/c16-15(19)11-5-8-18(9-6-11)14-3-1-2-12-10-17-7-4-13(12)14/h4,7,10-11,14H,1-3,5-6,8-9H2,(H2,16,19)
InChIKeyDDUJIIXRDWEIOO-UHFFFAOYSA-N
XLogP1.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
[1-(5,6,7,8-tetrahydroisoquinolin-5-yl)pyrazol-4-yl]boronic acid
CID 155713956
actinium;[(5R)-5,6,7,8-tetrahydroisoquinolin-5-yl]azanide
CID 59074393
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120
(5S)-5-chloro-5,6,7,8-tetrahydroisoquinoline
CID 124706971
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
1-methyl-N-[1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 94809230
1-[(1R,2R)-2-hydroxycyclopentyl]piperidine-4-carboxamide
CID 102734306

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide (CID 172702565) is 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide is NC(=O)C1CCN(C2CCCc3cnccc32)CC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide?
The InChIKey is DDUJIIXRDWEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15(19)11-5-8-18(9-6-11)14-3-1-2-12-10-17-7-4-13(12)14/h4,7,10-11,14H,1-3,5-6,8-9H2,(H2,16,19).
What are the key properties of 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide?
1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 172702565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).