N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide

C17H21N5O3 — CID 110742092

IUPACN-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(Cc3nnc(C)o3)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-12(23)18-15-5-3-4-14(10-15)17(24)22-8-6-21(7-9-22)11-16-20-19-13(2)25-16/h3-5,10H,6-9,11H2,1-2H3,(H,18,23)
InChIKeyYLUQSOCKBDTZSN-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.29
Rot. Bonds4

About N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 110742092) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
PubChem CID110742092
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(Cc3nnc(C)o3)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-12(23)18-15-5-3-4-14(10-15)17(24)22-8-6-21(7-9-22)11-16-20-19-13(2)25-16/h3-5,10H,6-9,11H2,1-2H3,(H,18,23)
InChIKeyYLUQSOCKBDTZSN-UHFFFAOYSA-N
XLogP1.29
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395871
N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 110395637
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396173
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110658400
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 134042175

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide (CID 110742092) is N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(Cc3nnc(C)o3)CC2)c1.
What is the InChIKey of N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is YLUQSOCKBDTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12(23)18-15-5-3-4-14(10-15)17(24)22-8-6-21(7-9-22)11-16-20-19-13(2)25-16/h3-5,10H,6-9,11H2,1-2H3,(H,18,23).
What are the key properties of N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide?
N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110742092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).