1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone

C21H23N3OS — CID 29139696

IUPAC1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cnc(-n2cccc2)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3OS/c25-20(15-19-16-22-21(26-19)24-10-4-5-11-24)23-12-8-18(9-13-23)14-17-6-2-1-3-7-17/h1-7,10-11,16,18H,8-9,12-15H2
InChIKeyRETAJUHEOMAFQN-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.96
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 29139696) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone
PubChem CID29139696
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cnc(-n2cccc2)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3OS/c25-20(15-19-16-22-21(26-19)24-10-4-5-11-24)23-12-8-18(9-13-23)14-17-6-2-1-3-7-17/h1-7,10-11,16,18H,8-9,12-15H2
InChIKeyRETAJUHEOMAFQN-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62751684
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 78760913
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 2417436
1-(4-benzylpiperidin-1-yl)-2-(2-nitrophenyl)ethanone
CID 3386923
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788
1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
CID 18860504

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone (CID 29139696) is 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone is O=C(Cc1cnc(-n2cccc2)s1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is RETAJUHEOMAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-20(15-19-16-22-21(26-19)24-10-4-5-11-24)23-12-8-18(9-13-23)14-17-6-2-1-3-7-17/h1-7,10-11,16,18H,8-9,12-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 365.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 29139696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).