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

C21H27F2N3OS — CID 110234619

IUPACN-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1nccs1)C1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C21H27F2N3OS/c1-21(2,3)20(27)25-18(19-24-9-12-28-19)14-7-10-26(11-8-14)13-15-5-4-6-16(22)17(15)23/h4-6,9,12,14,18H,7-8,10-11,13H2,1-3H3,(H,25,27)
InChIKeyGNYIVBSNHQSCFP-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.54
Rot. Bonds5

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

N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 110234619) has the molecular formula C21H27F2N3OS and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID110234619
Molecular FormulaC21H27F2N3OS
Molecular Weight407.53 g/mol
Exact Mass407.18
IUPAC NameN-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1nccs1)C1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C21H27F2N3OS/c1-21(2,3)20(27)25-18(19-24-9-12-28-19)14-7-10-26(11-8-14)13-15-5-4-6-16(22)17(15)23/h4-6,9,12,14,18H,7-8,10-11,13H2,1-3H3,(H,25,27)
InChIKeyGNYIVBSNHQSCFP-UHFFFAOYSA-N
XLogP4.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234601
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
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
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
N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215571
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
CID 97218961
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (CID 110234619) is N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(c1nccs1)C1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is GNYIVBSNHQSCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3OS/c1-21(2,3)20(27)25-18(19-24-9-12-28-19)14-7-10-26(11-8-14)13-15-5-4-6-16(22)17(15)23/h4-6,9,12,14,18H,7-8,10-11,13H2,1-3H3,(H,25,27).
What are the key properties of N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 407.53 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110234619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).