N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine

C19H20N4O5 — CID 2870021

IUPACN-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1C(=NO)CC(c2ccc([N+](=O)[O-])cc2)NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O5/c1-2-16-18(21-24)11-17(12-3-7-14(8-4-12)22(25)26)20-19(16)13-5-9-15(10-6-13)23(27)28/h3-10,16-17,19-20,24H,2,11H2,1H3
InChIKeyXHWQPGMAHKBRBX-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.14
Rot. Bonds5

About N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine

N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 2870021) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
PubChem CID2870021
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1C(=NO)CC(c2ccc([N+](=O)[O-])cc2)NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O5/c1-2-16-18(21-24)11-17(12-3-7-14(8-4-12)22(25)26)20-19(16)13-5-9-15(10-6-13)23(27)28/h3-10,16-17,19-20,24H,2,11H2,1H3
InChIKeyXHWQPGMAHKBRBX-UHFFFAOYSA-N
XLogP4.14
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine 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

(NE)-N-[(2R,3S,6S)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-ylidene]hydroxylamine
CID 7405463
(2R,3R,6S)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one
CID 7392901
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
(4-nitrophenyl)-[(2S,3R)-3-(4-nitrophenyl)aziridin-2-yl]methanone
CID 12650827
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-(4-nitrophenyl)methanone
CID 114509311
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
methyl 5-(4-nitrophenyl)pyrrolidine-2-carboxylate
CID 138376934
1,4-dinitrobenzene;nitrous acid
CID 174371180
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775
3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83248956
5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83262162

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine (CID 2870021) is N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine is CCC1C(=NO)CC(c2ccc([N+](=O)[O-])cc2)NC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is XHWQPGMAHKBRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-16-18(21-24)11-17(12-3-7-14(8-4-12)22(25)26)20-19(16)13-5-9-15(10-6-13)23(27)28/h3-10,16-17,19-20,24H,2,11H2,1H3.
What are the key properties of N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 384.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 2870021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).