4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol

C18H19N5O5 — CID 143553064

IUPAC4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)C2(O)CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O5/c24-18(8-10-19-11-9-18)17(13-4-2-1-3-5-13)21-20-15-7-6-14(22(25)26)12-16(15)23(27)28/h1-7,12,19-20,24H,8-11H2/b21-17-
InChIKeyFNJTVNRBCVXSSZ-FXBPSFAMSA-N
MW385.38 g/mol
LogP2.43
Rot. Bonds6

About 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol

4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol (PubChem CID 143553064) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol
PubChem CID143553064
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)C2(O)CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O5/c24-18(8-10-19-11-9-18)17(13-4-2-1-3-5-13)21-20-15-7-6-14(22(25)26)12-16(15)23(27)28/h1-7,12,19-20,24H,8-11H2/b21-17-
InChIKeyFNJTVNRBCVXSSZ-FXBPSFAMSA-N
XLogP2.43
TPSA142.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1-azidocyclopentyl)-phenylmethylidene]amino]-2,4-dinitroaniline
CID 4618827
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782
N-[(Z)-(2-diazo-1-phenylethylidene)amino]-2,4-dinitroaniline
CID 134094258
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
CID 5369580
5-[(E)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135832505
N-[(E)-(5-chloro-1-phenylpentylidene)amino]-2,4-dinitroaniline
CID 6036510
N-[(E)-(2-ethoxy-1-phenylethylidene)amino]-2,4-dinitroaniline
CID 134094248
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
2,4-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]aniline
CID 5385748

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol?
The IUPAC name of 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol (CID 143553064) is 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol.
What is the SMILES notation for 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol?
The canonical SMILES for 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol is O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)C2(O)CCNCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol?
The InChIKey is FNJTVNRBCVXSSZ-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H19N5O5/c24-18(8-10-19-11-9-18)17(13-4-2-1-3-5-13)21-20-15-7-6-14(22(25)26)12-16(15)23(27)28/h1-7,12,19-20,24H,8-11H2/b21-17-.
What are the key properties of 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol?
4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol has a molecular weight of 385.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]piperidin-4-ol is sourced from PubChem (CID 143553064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).