1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide

C24H27N3O — CID 46360377

IUPAC1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H27N3O/c1-17(2)18-10-12-19(13-11-18)26-24(28)22-16-25-23(27-14-6-3-7-15-27)21-9-5-4-8-20(21)22/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,26,28)
InChIKeySFBBIANWFRAFAH-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.60
Rot. Bonds4

About 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide

1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide (PubChem CID 46360377) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide
PubChem CID46360377
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H27N3O/c1-17(2)18-10-12-19(13-11-18)26-24(28)22-16-25-23(27-14-6-3-7-15-27)21-9-5-4-8-20(21)22/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,26,28)
InChIKeySFBBIANWFRAFAH-UHFFFAOYSA-N
XLogP5.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
N-(4-chloro-2-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360413
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360297
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329
6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 50847370
N-[2-(4-methylphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360398
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383
N-(3-chlorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174520
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 42878379
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone
CID 46360427

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide (CID 46360377) is 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide is CC(C)c1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide?
The InChIKey is SFBBIANWFRAFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17(2)18-10-12-19(13-11-18)26-24(28)22-16-25-23(27-14-6-3-7-15-27)21-9-5-4-8-20(21)22/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,26,28).
What are the key properties of 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide?
1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-(4-propan-2-ylphenyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 46360377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).