N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide

C23H27N5O2 — CID 33202572

IUPACN-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nnc(CN3CCN(CC(=O)NCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C23H27N5O2/c1-18-7-9-20(10-8-18)23-26-25-22(30-23)17-28-13-11-27(12-14-28)16-21(29)24-15-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,29)
InChIKeyBDUJSAGZCUMBSB-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.48
Rot. Bonds7

About N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 33202572) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID33202572
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nnc(CN3CCN(CC(=O)NCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C23H27N5O2/c1-18-7-9-20(10-8-18)23-26-25-22(30-23)17-28-13-11-27(12-14-28)16-21(29)24-15-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,29)
InChIKeyBDUJSAGZCUMBSB-UHFFFAOYSA-N
XLogP2.48
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 24613930
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 31691706
N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 55629971
N-[(4-methylphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385224
N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 9434359
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55742648
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
N-(benzylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7556696
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 33202572) is N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is Cc1ccc(-c2nnc(CN3CCN(CC(=O)NCc4ccccc4)CC3)o2)cc1.
What is the InChIKey of N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is BDUJSAGZCUMBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-18-7-9-20(10-8-18)23-26-25-22(30-23)17-28-13-11-27(12-14-28)16-21(29)24-15-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,29).
What are the key properties of N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 33202572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).