3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide

C18H22BrN3OS — CID 99875725

IUPAC3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NC[C@H]1CCCN(c2nccs2)C1
InChIInChI=1S/C18H22BrN3OS/c19-16-6-3-14(4-7-16)5-8-17(23)21-12-15-2-1-10-22(13-15)18-20-9-11-24-18/h3-4,6-7,9,11,15H,1-2,5,8,10,12-13H2,(H,21,23)/t15-/m1/s1
InChIKeyZZEKPXHERGCXDC-OAHLLOKOSA-N
MW408.37 g/mol
LogP3.87
Rot. Bonds6

About 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide

3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide (PubChem CID 99875725) has the molecular formula C18H22BrN3OS and a molecular weight of 408.37 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
PubChem CID99875725
Molecular FormulaC18H22BrN3OS
Molecular Weight408.37 g/mol
Exact Mass407.07
IUPAC Name3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NC[C@H]1CCCN(c2nccs2)C1
InChIInChI=1S/C18H22BrN3OS/c19-16-6-3-14(4-7-16)5-8-17(23)21-12-15-2-1-10-22(13-15)18-20-9-11-24-18/h3-4,6-7,9,11,15H,1-2,5,8,10,12-13H2,(H,21,23)/t15-/m1/s1
InChIKeyZZEKPXHERGCXDC-OAHLLOKOSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 90621705
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 90621638
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621837
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90619443
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621661

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide (CID 99875725) is 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide is O=C(CCc1ccc(Br)cc1)NC[C@H]1CCCN(c2nccs2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
The InChIKey is ZZEKPXHERGCXDC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22BrN3OS/c19-16-6-3-14(4-7-16)5-8-17(23)21-12-15-2-1-10-22(13-15)18-20-9-11-24-18/h3-4,6-7,9,11,15H,1-2,5,8,10,12-13H2,(H,21,23)/t15-/m1/s1.
What are the key properties of 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide has a molecular weight of 408.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 99875725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).