1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C30H31N3O4S — CID 3751575

IUPAC1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)CC1
InChIInChI=1S/C30H31N3O4S/c1-36-26-9-5-3-7-23(26)20-10-14-32(15-11-20)29(34)24-19-38-28(31-24)21-12-16-33(17-13-21)30(35)27-18-22-6-2-4-8-25(22)37-27/h2-9,18-21H,10-17H2,1H3
InChIKeyPWPACAYHNGPDHT-UHFFFAOYSA-N
MW529.66 g/mol
LogP5.94
Rot. Bonds5

About 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone

1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 3751575) has the molecular formula C30H31N3O4S and a molecular weight of 529.66 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID3751575
Molecular FormulaC30H31N3O4S
Molecular Weight529.66 g/mol
Exact Mass529.20
IUPAC Name1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)CC1
InChIInChI=1S/C30H31N3O4S/c1-36-26-9-5-3-7-23(26)20-10-14-32(15-11-20)29(34)24-19-38-28(31-24)21-12-16-33(17-13-21)30(35)27-18-22-6-2-4-8-25(22)37-27/h2-9,18-21H,10-17H2,1H3
InChIKeyPWPACAYHNGPDHT-UHFFFAOYSA-N
XLogP5.94
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetate
CID 3449970
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23734959
[2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 3781453
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23849343
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3809352
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide
CID 23935966
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 23855448
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3678647
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3786153
[4-[4-(4-benzylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3797595
1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786966
[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 4987285

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 3751575) is 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone is COc1ccccc1C1CCN(C(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PWPACAYHNGPDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4S/c1-36-26-9-5-3-7-23(26)20-10-14-32(15-11-20)29(34)24-19-38-28(31-24)21-12-16-33(17-13-21)30(35)27-18-22-6-2-4-8-25(22)37-27/h2-9,18-21H,10-17H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 529.66 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3751575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).