N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

C19H26N4O2S — CID 55735880

IUPACN-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCc1nc(CSCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C19H26N4O2S/c1-15-20-18(21-25-15)13-26-14-19(24)22(2)12-16-6-8-17(9-7-16)23-10-4-3-5-11-23/h6-9H,3-5,10-14H2,1-2H3
InChIKeyWXPRKPKZOLGEII-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.26
Rot. Bonds7

About N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 55735880) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID55735880
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCc1nc(CSCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C19H26N4O2S/c1-15-20-18(21-25-15)13-26-14-19(24)22(2)12-16-6-8-17(9-7-16)23-10-4-3-5-11-23/h6-9H,3-5,10-14H2,1-2H3
InChIKeyWXPRKPKZOLGEII-UHFFFAOYSA-N
XLogP3.26
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 46662340
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 155944479
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 46662291
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55851465
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 24643554
N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 137294296
N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24551967
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25333543

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (CID 55735880) is N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is Cc1nc(CSCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is WXPRKPKZOLGEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15-20-18(21-25-15)13-26-14-19(24)22(2)12-16-6-8-17(9-7-16)23-10-4-3-5-11-23/h6-9H,3-5,10-14H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 55735880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).