N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide

C18H22N6O4 — CID 133342739

IUPACN-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide
SMILESCc1nc(CN2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)no1
InChIInChI=1S/C18H22N6O4/c1-12-19-17(21-28-12)11-22-6-8-23(9-7-22)15-5-2-13(10-16(15)24(26)27)18(25)20-14-3-4-14/h2,5,10,14H,3-4,6-9,11H2,1H3,(H,20,25)
InChIKeyWYDHPLRGAOPRQD-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.50
Rot. Bonds6

About N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide

N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide (PubChem CID 133342739) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide
PubChem CID133342739
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide
SMILESCc1nc(CN2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)no1
InChIInChI=1S/C18H22N6O4/c1-12-19-17(21-28-12)11-22-6-8-23(9-7-22)15-5-2-13(10-16(15)24(26)27)18(25)20-14-3-4-14/h2,5,10,14H,3-4,6-9,11H2,1H3,(H,20,25)
InChIKeyWYDHPLRGAOPRQD-UHFFFAOYSA-N
XLogP1.50
TPSA117.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrophenyl]ethanone
CID 56805703
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
N-(1-ethylpiperidin-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30768197
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-cyclopropyl-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-nitrobenzamide
CID 133292760
1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]azetidine-3-carboxylic acid
CID 122064632
N-cyclopropyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide
CID 55485490
N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide
CID 133410674
N-cyclopropyl-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-3-nitrobenzamide
CID 133396299
4-[4-(benzenesulfonamido)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 26031798
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 133355778

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide (CID 133342739) is N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide is Cc1nc(CN2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)no1.
What is the InChIKey of N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide?
The InChIKey is WYDHPLRGAOPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-12-19-17(21-28-12)11-22-6-8-23(9-7-22)15-5-2-13(10-16(15)24(26)27)18(25)20-14-3-4-14/h2,5,10,14H,3-4,6-9,11H2,1H3,(H,20,25).
What are the key properties of N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide?
N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide has a molecular weight of 386.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide is sourced from PubChem (CID 133342739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).