N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide

C15H21N5O2 — CID 25237897

IUPACN-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)N1CCN(CC(=O)Nc2cccc3nonc23)CC1
InChIInChI=1S/C15H21N5O2/c1-11(2)20-8-6-19(7-9-20)10-14(21)16-12-4-3-5-13-15(12)18-22-17-13/h3-5,11H,6-10H2,1-2H3,(H,16,21)
InChIKeyYXKBQPGQLWIBMF-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.19
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide

N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 25237897) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID25237897
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)N1CCN(CC(=O)Nc2cccc3nonc23)CC1
InChIInChI=1S/C15H21N5O2/c1-11(2)20-8-6-19(7-9-20)10-14(21)16-12-4-3-5-13-15(12)18-22-17-13/h3-5,11H,6-10H2,1-2H3,(H,16,21)
InChIKeyYXKBQPGQLWIBMF-UHFFFAOYSA-N
XLogP1.19
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 25237894
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149224
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide
CID 54928472
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 8694603
methyl 2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46604969
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide (CID 25237897) is N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide is CC(C)N1CCN(CC(=O)Nc2cccc3nonc23)CC1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is YXKBQPGQLWIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11(2)20-8-6-19(7-9-20)10-14(21)16-12-4-3-5-13-15(12)18-22-17-13/h3-5,11H,6-10H2,1-2H3,(H,16,21).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 25237897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).