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

C21H28FN3OS — CID 110234601

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1nccs1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H28FN3OS/c1-21(2,3)20(26)24-18(19-23-10-13-27-19)15-8-11-25(12-9-15)14-16-6-4-5-7-17(16)22/h4-7,10,13,15,18H,8-9,11-12,14H2,1-3H3,(H,24,26)
InChIKeyQVTRDZXYEWCXAI-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.40
Rot. Bonds5

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 110234601) has the molecular formula C21H28FN3OS and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID110234601
Molecular FormulaC21H28FN3OS
Molecular Weight389.54 g/mol
Exact Mass389.19
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1nccs1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H28FN3OS/c1-21(2,3)20(26)24-18(19-23-10-13-27-19)15-8-11-25(12-9-15)14-16-6-4-5-7-17(16)22/h4-7,10,13,15,18H,8-9,11-12,14H2,1-3H3,(H,24,26)
InChIKeyQVTRDZXYEWCXAI-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234619
N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234604
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-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92572787
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
2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228657
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 92572784
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (CID 110234601) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(c1nccs1)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is QVTRDZXYEWCXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3OS/c1-21(2,3)20(26)24-18(19-23-10-13-27-19)15-8-11-25(12-9-15)14-16-6-4-5-7-17(16)22/h4-7,10,13,15,18H,8-9,11-12,14H2,1-3H3,(H,24,26).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 389.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110234601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).