N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C24H33N5OS — CID 23650230

IUPACN,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1csc(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)CC2)n1
InChIInChI=1S/C24H33N5OS/c1-18-16-31-22(25-18)28-12-8-19(9-13-28)27-14-10-24(11-15-27)17-29(23(30)26(2)3)21-7-5-4-6-20(21)24/h4-7,16,19H,8-15,17H2,1-3H3
InChIKeyCKAMURXBNHCQBH-UHFFFAOYSA-N
MW439.63 g/mol
LogP3.96
Rot. Bonds2

About N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23650230) has the molecular formula C24H33N5OS and a molecular weight of 439.63 g/mol. Its IUPAC name is N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23650230
Molecular FormulaC24H33N5OS
Molecular Weight439.63 g/mol
Exact Mass439.24
IUPAC NameN,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1csc(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)CC2)n1
InChIInChI=1S/C24H33N5OS/c1-18-16-31-22(25-18)28-12-8-19(9-13-28)27-14-10-24(11-15-27)17-29(23(30)26(2)3)21-7-5-4-6-20(21)24/h4-7,16,19H,8-15,17H2,1-3H3
InChIKeyCKAMURXBNHCQBH-UHFFFAOYSA-N
XLogP3.96
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23650230) is N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1csc(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)CC2)n1.
What is the InChIKey of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is CKAMURXBNHCQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5OS/c1-18-16-31-22(25-18)28-12-8-19(9-13-28)27-14-10-24(11-15-27)17-29(23(30)26(2)3)21-7-5-4-6-20(21)24/h4-7,16,19H,8-15,17H2,1-3H3.
What are the key properties of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 439.63 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23650230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).