tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate

C25H30N4O3 — CID 143770885

IUPACtert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)c2NO)CC1
InChIInChI=1S/C25H30N4O3/c1-25(2,3)32-24(30)29-14-11-20(12-15-29)27-23-22(28-31)21(10-13-26-23)19-9-8-17-6-4-5-7-18(17)16-19/h4-10,13,16,20,28,31H,11-12,14-15H2,1-3H3,(H,26,27)
InChIKeyJOVLXRFTBRILPY-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.51
Rot. Bonds4

About tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 143770885) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID143770885
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Nametert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)c2NO)CC1
InChIInChI=1S/C25H30N4O3/c1-25(2,3)32-24(30)29-14-11-20(12-15-29)27-23-22(28-31)21(10-13-26-23)19-9-8-17-6-4-5-7-18(17)16-19/h4-10,13,16,20,28,31H,11-12,14-15H2,1-3H3,(H,26,27)
InChIKeyJOVLXRFTBRILPY-UHFFFAOYSA-N
XLogP5.51
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylate;7-naphthalen-2-yl-3-piperidin-4-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 159357228
4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 68729145
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate
CID 156518071
tert-butyl (3S)-3-[[(4-naphthalen-2-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 91180125
tert-butyl 4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 58919641
tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 18321429
tert-butyl 4-[[[2-(cyclohexylamino)pyrimidin-4-yl]-(naphthalene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58702239
tert-butyl 3-[(6-bromo-1,7-naphthyridin-8-yl)amino]pyrrolidine-1-carboxylate
CID 90387015
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate (CID 143770885) is tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)c2NO)CC1.
What is the InChIKey of tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is JOVLXRFTBRILPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-25(2,3)32-24(30)29-14-11-20(12-15-29)27-23-22(28-31)21(10-13-26-23)19-9-8-17-6-4-5-7-18(17)16-19/h4-10,13,16,20,28,31H,11-12,14-15H2,1-3H3,(H,26,27).
What are the key properties of tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 5.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 143770885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).