N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine

C15H19N5O3 — CID 133497591

IUPACN,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN(c3ccccc3[N+](=O)[O-])C2)n1
InChIInChI=1S/C15H19N5O3/c1-18(2)15-16-14(23-17-15)11-6-5-9-19(10-11)12-7-3-4-8-13(12)20(21)22/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyDRACVAHCWCBFEO-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.43
Rot. Bonds4

About N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 133497591) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
PubChem CID133497591
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN(c3ccccc3[N+](=O)[O-])C2)n1
InChIInChI=1S/C15H19N5O3/c1-18(2)15-16-14(23-17-15)11-6-5-9-19(10-11)12-7-3-4-8-13(12)20(21)22/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyDRACVAHCWCBFEO-UHFFFAOYSA-N
XLogP2.43
TPSA88.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[1-(3-methyl-4-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 133497627
3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133284927
5-[1-(2,6-difluoro-4-nitrophenyl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497528
2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 164640811
(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 7123107
N,N-dimethyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 133497553
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
6-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267483
[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 99841425
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
3-(4-fluorophenyl)-5-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133282045
ethane;1-(2-nitrophenyl)piperidine
CID 177332919

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine (CID 133497591) is N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2CCCN(c3ccccc3[N+](=O)[O-])C2)n1.
What is the InChIKey of N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is DRACVAHCWCBFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-18(2)15-16-14(23-17-15)11-6-5-9-19(10-11)12-7-3-4-8-13(12)20(21)22/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 317.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133497591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).