N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide

C24H27N3O — CID 46360398

IUPACN-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H27N3O/c1-18-9-11-19(12-10-18)13-14-25-24(28)22-17-26-23(27-15-5-2-6-16-27)21-8-4-3-7-20(21)22/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,25,28)
InChIKeyJQVNAFBUXMBGFM-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.51
Rot. Bonds5

About N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide

N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide (PubChem CID 46360398) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
PubChem CID46360398
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H27N3O/c1-18-9-11-19(12-10-18)13-14-25-24(28)22-17-26-23(27-15-5-2-6-16-27)21-8-4-3-7-20(21)22/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,25,28)
InChIKeyJQVNAFBUXMBGFM-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627
N-(3-methoxypropyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174450
N-[2-(dimethylamino)ethyl]-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 126476974
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide
CID 46360377
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide (CID 46360398) is N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide is Cc1ccc(CCNC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
The InChIKey is JQVNAFBUXMBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-9-11-19(12-10-18)13-14-25-24(28)22-17-26-23(27-15-5-2-6-16-27)21-8-4-3-7-20(21)22/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide?
N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 46360398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).