4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide

C21H27N3O — CID 58495781

IUPAC4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCC(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H27N3O/c22-21(25)17-6-7-18-13-23-14-20(19(18)12-17)24-10-8-16(9-11-24)15-4-2-1-3-5-15/h6-7,12-16H,1-5,8-11H2,(H2,22,25)
InChIKeySUVGWYSCVWLNED-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.13
Rot. Bonds3

About 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide

4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide (PubChem CID 58495781) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide
PubChem CID58495781
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCC(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H27N3O/c22-21(25)17-6-7-18-13-23-14-20(19(18)12-17)24-10-8-16(9-11-24)15-4-2-1-3-5-15/h6-7,12-16H,1-5,8-11H2,(H2,22,25)
InChIKeySUVGWYSCVWLNED-UHFFFAOYSA-N
XLogP4.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide?
The IUPAC name of 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide (CID 58495781) is 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide?
The canonical SMILES for 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide is NC(=O)c1ccc2cncc(N3CCC(C4CCCCC4)CC3)c2c1.
What is the InChIKey of 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide?
The InChIKey is SUVGWYSCVWLNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-21(25)17-6-7-18-13-23-14-20(19(18)12-17)24-10-8-16(9-11-24)15-4-2-1-3-5-15/h6-7,12-16H,1-5,8-11H2,(H2,22,25).
What are the key properties of 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide?
4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperidin-1-yl)isoquinoline-6-carboxamide is sourced from PubChem (CID 58495781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).