N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide

C18H24N4O3S — CID 72855924

IUPACN-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)N1CCCC(CSC)C1
InChIInChI=1S/C18H24N4O3S/c1-12-20-21-17(25-12)14-6-7-16(24-2)15(9-14)19-18(23)22-8-4-5-13(10-22)11-26-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,23)
InChIKeyZIPCXCBOLOBLBW-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.66
Rot. Bonds5

About N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide

N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide (PubChem CID 72855924) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
PubChem CID72855924
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)N1CCCC(CSC)C1
InChIInChI=1S/C18H24N4O3S/c1-12-20-21-17(25-12)14-6-7-16(24-2)15(9-14)19-18(23)22-8-4-5-13(10-22)11-26-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,23)
InChIKeyZIPCXCBOLOBLBW-UHFFFAOYSA-N
XLogP3.66
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 72919615
methyl 4-methyl-3-[[3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 72889185
2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 131912300
(3aR,7aS)-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 74250727
(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97279295
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 168650811
(3S)-N-(4-cyano-2-ethylphenyl)-3-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97286423
3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131925703
methyl 2-chloro-4-[[(3S)-3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 97274178
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131947019

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide (CID 72855924) is N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide is COc1ccc(-c2nnc(C)o2)cc1NC(=O)N1CCCC(CSC)C1.
What is the InChIKey of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
The InChIKey is ZIPCXCBOLOBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-20-21-17(25-12)14-6-7-16(24-2)15(9-14)19-18(23)22-8-4-5-13(10-22)11-26-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 72855924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).