N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

C25H35N3O2S — CID 110234627

IUPACN-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1cc2c(cc1CN1CCC(C(NC(=O)C(C)(C)C)c3nccs3)CC1)CCC2
InChIInChI=1S/C25H35N3O2S/c1-25(2,3)24(29)27-22(23-26-10-13-31-23)17-8-11-28(12-9-17)16-20-14-18-6-5-7-19(18)15-21(20)30-4/h10,13-15,17,22H,5-9,11-12,16H2,1-4H3,(H,27,29)
InChIKeyIFPXAOUUIKFRHF-UHFFFAOYSA-N
MW441.64 g/mol
LogP4.76
Rot. Bonds6

About N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 110234627) has the molecular formula C25H35N3O2S and a molecular weight of 441.64 g/mol. Its IUPAC name is N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID110234627
Molecular FormulaC25H35N3O2S
Molecular Weight441.64 g/mol
Exact Mass441.24
IUPAC NameN-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1cc2c(cc1CN1CCC(C(NC(=O)C(C)(C)C)c3nccs3)CC1)CCC2
InChIInChI=1S/C25H35N3O2S/c1-25(2,3)24(29)27-22(23-26-10-13-31-23)17-8-11-28(12-9-17)16-20-14-18-6-5-7-19(18)15-21(20)30-4/h10,13-15,17,22H,5-9,11-12,16H2,1-4H3,(H,27,29)
InChIKeyIFPXAOUUIKFRHF-UHFFFAOYSA-N
XLogP4.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234604
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234601
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234619
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 155498928
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110229386
N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide
CID 131910672
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110243763

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (CID 110234627) is N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is COc1cc2c(cc1CN1CCC(C(NC(=O)C(C)(C)C)c3nccs3)CC1)CCC2.
What is the InChIKey of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is IFPXAOUUIKFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2S/c1-25(2,3)24(29)27-22(23-26-10-13-31-23)17-8-11-28(12-9-17)16-20-14-18-6-5-7-19(18)15-21(20)30-4/h10,13-15,17,22H,5-9,11-12,16H2,1-4H3,(H,27,29).
What are the key properties of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 441.64 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110234627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).