2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C27H28N2O3S — CID 4256729

IUPAC2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C(c1ccc(C2SCC(=O)N2Cc2ccco2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H28N2O3S/c30-25-19-33-27(29(25)18-24-7-4-16-32-24)23-10-8-22(9-11-23)26(31)28-14-12-21(13-15-28)17-20-5-2-1-3-6-20/h1-11,16,21,27H,12-15,17-19H2
InChIKeyDNPBXRLZXYCONS-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.15
Rot. Bonds6

About 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 4256729) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID4256729
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C(c1ccc(C2SCC(=O)N2Cc2ccco2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H28N2O3S/c30-25-19-33-27(29(25)18-24-7-4-16-32-24)23-10-8-22(9-11-23)26(31)28-14-12-21(13-15-28)17-20-5-2-1-3-6-20/h1-11,16,21,27H,12-15,17-19H2
InChIKeyDNPBXRLZXYCONS-UHFFFAOYSA-N
XLogP5.15
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 23939297
N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126345598
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-phenylpropyl]benzamide
CID 30396912
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 7421671
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide
CID 30396915
(2R)-2-[4-(morpholine-4-carbonyl)phenyl]-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 1209526
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
CID 41066332
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 4256729) is 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C(c1ccc(C2SCC(=O)N2Cc2ccco2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is DNPBXRLZXYCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c30-25-19-33-27(29(25)18-24-7-4-16-32-24)23-10-8-22(9-11-23)26(31)28-14-12-21(13-15-28)17-20-5-2-1-3-6-20/h1-11,16,21,27H,12-15,17-19H2.
What are the key properties of 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 460.60 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4256729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).