N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide

C18H23N3O — CID 95194154

IUPACN-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
SMILESCN1CCC[C@@H](CCNC(=O)c2cc3ccccc3cn2)C1
InChIInChI=1S/C18H23N3O/c1-21-10-4-5-14(13-21)8-9-19-18(22)17-11-15-6-2-3-7-16(15)12-20-17/h2-3,6-7,11-12,14H,4-5,8-10,13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyRZJPSVIVIMBQRV-AWEZNQCLSA-N
MW297.40 g/mol
LogP2.70
Rot. Bonds4

About N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide

N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide (PubChem CID 95194154) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
PubChem CID95194154
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
SMILESCN1CCC[C@@H](CCNC(=O)c2cc3ccccc3cn2)C1
InChIInChI=1S/C18H23N3O/c1-21-10-4-5-14(13-21)8-9-19-18(22)17-11-15-6-2-3-7-16(15)12-20-17/h2-3,6-7,11-12,14H,4-5,8-10,13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyRZJPSVIVIMBQRV-AWEZNQCLSA-N
XLogP2.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-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

4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 56722819
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126818620
N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 95216055
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122152416
N-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]cyclohexyl]isoquinoline-3-carboxamide
CID 169417106
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 110848375
1-chloro-N-(2-cyclobutylethyl)isoquinoline-3-carboxamide
CID 115687065
N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide
CID 45121525
1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222672

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide?
The IUPAC name of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide (CID 95194154) is N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide?
The canonical SMILES for N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide is CN1CCC[C@@H](CCNC(=O)c2cc3ccccc3cn2)C1.
What is the InChIKey of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide?
The InChIKey is RZJPSVIVIMBQRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21-10-4-5-14(13-21)8-9-19-18(22)17-11-15-6-2-3-7-16(15)12-20-17/h2-3,6-7,11-12,14H,4-5,8-10,13H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide?
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 95194154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).