N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C28H23N3O3S — CID 112798163

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H23N3O3S/c32-26(30-28-29-23(17-35-28)25-16-20-7-2-4-11-24(20)34-25)19-12-14-31(15-13-19)27(33)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,16-17,19H,12-15H2,(H,29,30,32)
InChIKeyYFBHEXNJMNVXLT-UHFFFAOYSA-N
MW481.58 g/mol
LogP6.20
Rot. Bonds4

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 112798163) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID112798163
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H23N3O3S/c32-26(30-28-29-23(17-35-28)25-16-20-7-2-4-11-24(20)34-25)19-12-14-31(15-13-19)27(33)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,16-17,19H,12-15H2,(H,29,30,32)
InChIKeyYFBHEXNJMNVXLT-UHFFFAOYSA-N
XLogP6.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(naphthalene-1-carbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 78863914
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828540
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
1-(2,4-difluorobenzoyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55375404
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 55610513
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 112798163) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is YFBHEXNJMNVXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c32-26(30-28-29-23(17-35-28)25-16-20-7-2-4-11-24(20)34-25)19-12-14-31(15-13-19)27(33)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,16-17,19H,12-15H2,(H,29,30,32).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 112798163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).