1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C30H28FN3O2S — CID 23600320

IUPAC1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(CCc1ccc(F)cc1)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)(c2ccccc2)CC1
InChIInChI=1S/C30H28FN3O2S/c31-25-14-11-22(12-15-25)13-16-27(35)34-19-17-30(18-20-34,24-9-5-2-6-10-24)28(36)33-29-32-26(21-37-29)23-7-3-1-4-8-23/h1-12,14-15,21H,13,16-20H2,(H,32,33,36)
InChIKeyLAFMMLGIJGWEJQ-UHFFFAOYSA-N
MW513.64 g/mol
LogP6.08
Rot. Bonds7

About 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 23600320) has the molecular formula C30H28FN3O2S and a molecular weight of 513.64 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID23600320
Molecular FormulaC30H28FN3O2S
Molecular Weight513.64 g/mol
Exact Mass513.19
IUPAC Name1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(CCc1ccc(F)cc1)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)(c2ccccc2)CC1
InChIInChI=1S/C30H28FN3O2S/c31-25-14-11-22(12-15-25)13-16-27(35)34-19-17-30(18-20-34,24-9-5-2-6-10-24)28(36)33-29-32-26(21-37-29)23-7-3-1-4-8-23/h1-12,14-15,21H,13,16-20H2,(H,32,33,36)
InChIKeyLAFMMLGIJGWEJQ-UHFFFAOYSA-N
XLogP6.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110412266
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 26065990
benzyl 4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylpiperidine-1-carboxylate
CID 23600702
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
4-(4-benzhydrylpiperazin-1-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 167889770
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 23600320) is 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(CCc1ccc(F)cc1)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)(c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LAFMMLGIJGWEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN3O2S/c31-25-14-11-22(12-15-25)13-16-27(35)34-19-17-30(18-20-34,24-9-5-2-6-10-24)28(36)33-29-32-26(21-37-29)23-7-3-1-4-8-23/h1-12,14-15,21H,13,16-20H2,(H,32,33,36).
What are the key properties of 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 513.64 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 23600320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).