N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

C23H22N4O2S — CID 121114507

IUPACN-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C23H22N4O2S/c28-23(24-14-18-6-3-5-16-4-1-2-7-20(16)18)27-11-8-17(9-12-27)21-25-26-22(29-21)19-10-13-30-15-19/h1-7,10,13,15,17H,8-9,11-12,14H2,(H,24,28)
InChIKeyIAQRRDWMUZGXCZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.04
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 121114507) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
PubChem CID121114507
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C23H22N4O2S/c28-23(24-14-18-6-3-5-16-4-1-2-7-20(16)18)27-11-8-17(9-12-27)21-25-26-22(29-21)19-10-13-30-15-19/h1-7,10,13,15,17H,8-9,11-12,14H2,(H,24,28)
InChIKeyIAQRRDWMUZGXCZ-UHFFFAOYSA-N
XLogP5.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 71793024
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793008
N-(4-chlorophenyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114489
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121114479
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116704
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
CID 90543355
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 121115060
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121116730

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (CID 121114507) is N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is O=C(NCc1cccc2ccccc12)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is IAQRRDWMUZGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-23(24-14-18-6-3-5-16-4-1-2-7-20(16)18)27-11-8-17(9-12-27)21-25-26-22(29-21)19-10-13-30-15-19/h1-7,10,13,15,17H,8-9,11-12,14H2,(H,24,28).
What are the key properties of N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121114507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).