N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide

C29H36N6O3S — CID 24882562

IUPACN-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)CN1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1
InChIInChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)
InChIKeyMJQUKUIDCUNAAB-UHFFFAOYSA-N
MW548.71 g/mol
LogP4.21
Rot. Bonds5

About N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide

N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 24882562) has the molecular formula C29H36N6O3S and a molecular weight of 548.71 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID24882562
Molecular FormulaC29H36N6O3S
Molecular Weight548.71 g/mol
Exact Mass548.26
IUPAC NameN-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)CN1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1
InChIInChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)
InChIKeyMJQUKUIDCUNAAB-UHFFFAOYSA-N
XLogP4.21
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.71
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

indole-based 6-membered lactam, (R)-4b
CID 15604766
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143527
N-methyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143529
N,N-dimethyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143530
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143531
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143533
2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 23661566
N-(2-aminoethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143532
N-(2-amino-2-oxoethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143534
N-(3-amino-3-oxopropyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143535
N-(2-hydroxyethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143536
2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-N-propyl-1,3-thiazole-4-carboxamide
CID 44143537

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 24882562) is N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide is CC(C)(C)CN1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is MJQUKUIDCUNAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36).
What are the key properties of N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide?
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 548.71 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24882562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).