N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide

C26H33N5O2 — CID 172533542

IUPACN-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
SMILESCc1cc(C)c2c(N(C(=O)N3CCC(c4cc(C)no4)CC3)C3CCCNC3)nccc2c1
InChIInChI=1S/C26H33N5O2/c1-17-13-18(2)24-21(14-17)6-10-28-25(24)31(22-5-4-9-27-16-22)26(32)30-11-7-20(8-12-30)23-15-19(3)29-33-23/h6,10,13-15,20,22,27H,4-5,7-9,11-12,16H2,1-3H3
InChIKeyCACWOHASVLURNO-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.71
Rot. Bonds3

About N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide

N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide (PubChem CID 172533542) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
PubChem CID172533542
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
SMILESCc1cc(C)c2c(N(C(=O)N3CCC(c4cc(C)no4)CC3)C3CCCNC3)nccc2c1
InChIInChI=1S/C26H33N5O2/c1-17-13-18(2)24-21(14-17)6-10-28-25(24)31(22-5-4-9-27-16-22)26(32)30-11-7-20(8-12-30)23-15-19(3)29-33-23/h6,10,13-15,20,22,27H,4-5,7-9,11-12,16H2,1-3H3
InChIKeyCACWOHASVLURNO-UHFFFAOYSA-N
XLogP4.71
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide (CID 172533542) is N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide is Cc1cc(C)c2c(N(C(=O)N3CCC(c4cc(C)no4)CC3)C3CCCNC3)nccc2c1.
What is the InChIKey of N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
The InChIKey is CACWOHASVLURNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-17-13-18(2)24-21(14-17)6-10-28-25(24)31(22-5-4-9-27-16-22)26(32)30-11-7-20(8-12-30)23-15-19(3)29-33-23/h6,10,13-15,20,22,27H,4-5,7-9,11-12,16H2,1-3H3.
What are the key properties of N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 172533542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).