N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

C23H33N3O3S — CID 110234604

IUPACN-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CN2CCC(C(NC(=O)C(C)(C)C)c3nccs3)CC2)c(OC)c1
InChIInChI=1S/C23H33N3O3S/c1-23(2,3)22(27)25-20(21-24-10-13-30-21)16-8-11-26(12-9-16)15-17-6-7-18(28-4)14-19(17)29-5/h6-7,10,13-14,16,20H,8-9,11-12,15H2,1-5H3,(H,25,27)
InChIKeyZDERFDCQFREDCR-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.28
Rot. Bonds7

About N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 110234604) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID110234604
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC NameN-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CN2CCC(C(NC(=O)C(C)(C)C)c3nccs3)CC2)c(OC)c1
InChIInChI=1S/C23H33N3O3S/c1-23(2,3)22(27)25-20(21-24-10-13-30-21)16-8-11-26(12-9-16)15-17-6-7-18(28-4)14-19(17)29-5/h6-7,10,13-14,16,20H,8-9,11-12,15H2,1-5H3,(H,25,27)
InChIKeyZDERFDCQFREDCR-UHFFFAOYSA-N
XLogP4.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (CID 110234604) is N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is COc1ccc(CN2CCC(C(NC(=O)C(C)(C)C)c3nccs3)CC2)c(OC)c1.
What is the InChIKey of N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is ZDERFDCQFREDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-23(2,3)22(27)25-20(21-24-10-13-30-21)16-8-11-26(12-9-16)15-17-6-7-18(28-4)14-19(17)29-5/h6-7,10,13-14,16,20H,8-9,11-12,15H2,1-5H3,(H,25,27).
What are the key properties of N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 431.60 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110234604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).