N-isoquinolin-5-ylpiperidine-3-carboxamide

C15H17N3O — CID 43702210

IUPACN-isoquinolin-5-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2cnccc12)C1CCCNC1
InChIInChI=1S/C15H17N3O/c19-15(12-4-2-7-16-10-12)18-14-5-1-3-11-9-17-8-6-13(11)14/h1,3,5-6,8-9,12,16H,2,4,7,10H2,(H,18,19)
InChIKeyPMMZYWXGVDRQMA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.17
Rot. Bonds2

About N-isoquinolin-5-ylpiperidine-3-carboxamide

N-isoquinolin-5-ylpiperidine-3-carboxamide (PubChem CID 43702210) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-isoquinolin-5-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-ylpiperidine-3-carboxamide
PubChem CID43702210
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-isoquinolin-5-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2cnccc12)C1CCCNC1
InChIInChI=1S/C15H17N3O/c19-15(12-4-2-7-16-10-12)18-14-5-1-3-11-9-17-8-6-13(11)14/h1,3,5-6,8-9,12,16H,2,4,7,10H2,(H,18,19)
InChIKeyPMMZYWXGVDRQMA-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-isoquinolin-5-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
CID 43702244
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
CID 69185205
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
(3R,4S)-4-(4-fluorophenyl)-N-isoquinolin-5-ylpyrrolidine-3-carboxamide
CID 156839080
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
1-isoquinolin-5-yl-2-piperidin-3-ylethanone
CID 116564336
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119583
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
(3R,4R)-N-isoquinolin-5-yl-4-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 162470972

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-ylpiperidine-3-carboxamide?
The IUPAC name of N-isoquinolin-5-ylpiperidine-3-carboxamide (CID 43702210) is N-isoquinolin-5-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-isoquinolin-5-ylpiperidine-3-carboxamide?
The canonical SMILES for N-isoquinolin-5-ylpiperidine-3-carboxamide is O=C(Nc1cccc2cnccc12)C1CCCNC1.
What is the InChIKey of N-isoquinolin-5-ylpiperidine-3-carboxamide?
The InChIKey is PMMZYWXGVDRQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(12-4-2-7-16-10-12)18-14-5-1-3-11-9-17-8-6-13(11)14/h1,3,5-6,8-9,12,16H,2,4,7,10H2,(H,18,19).
What are the key properties of N-isoquinolin-5-ylpiperidine-3-carboxamide?
N-isoquinolin-5-ylpiperidine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-ylpiperidine-3-carboxamide is sourced from PubChem (CID 43702210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).