piperidin-4-yl N-(4-nitrophenyl)carbamate

C12H15N3O4 — CID 79337999

IUPACpiperidin-4-yl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OC1CCNCC1
InChIInChI=1S/C12H15N3O4/c16-12(19-11-5-7-13-8-6-11)14-9-1-3-10(4-2-9)15(17)18/h1-4,11,13H,5-8H2,(H,14,16)
InChIKeyXAMIEQOHAXVDNZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.90
Rot. Bonds3

About piperidin-4-yl N-(4-nitrophenyl)carbamate

piperidin-4-yl N-(4-nitrophenyl)carbamate (PubChem CID 79337999) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is piperidin-4-yl N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-(4-nitrophenyl)carbamate
PubChem CID79337999
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namepiperidin-4-yl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OC1CCNCC1
InChIInChI=1S/C12H15N3O4/c16-12(19-11-5-7-13-8-6-11)14-9-1-3-10(4-2-9)15(17)18/h1-4,11,13H,5-8H2,(H,14,16)
InChIKeyXAMIEQOHAXVDNZ-UHFFFAOYSA-N
XLogP1.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate
CID 20775674
1-(4-nitrophenyl)-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685398
[4-(cyclohexyloxycarbonylamino)phenyl]methyl (4-nitrophenyl) carbonate
CID 172551586
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
1-methyl-3-(4-nitrophenyl)-1-pyrrolidin-3-ylurea
CID 63297706
piperidin-4-yl N-[(4-nitrophenyl)methyl]-N-prop-2-enylcarbamate
CID 90729462
piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337898
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 121235183
piperidin-4-yl N-(2-chlorophenyl)carbamate
CID 20735403
1-cyano-N-(4-nitrophenyl)formamide
CID 10607728
N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63876721

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-(4-nitrophenyl)carbamate?
The IUPAC name of piperidin-4-yl N-(4-nitrophenyl)carbamate (CID 79337999) is piperidin-4-yl N-(4-nitrophenyl)carbamate.
What is the SMILES notation for piperidin-4-yl N-(4-nitrophenyl)carbamate?
The canonical SMILES for piperidin-4-yl N-(4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-(4-nitrophenyl)carbamate?
The InChIKey is XAMIEQOHAXVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-12(19-11-5-7-13-8-6-11)14-9-1-3-10(4-2-9)15(17)18/h1-4,11,13H,5-8H2,(H,14,16).
What are the key properties of piperidin-4-yl N-(4-nitrophenyl)carbamate?
piperidin-4-yl N-(4-nitrophenyl)carbamate has a molecular weight of 265.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 79337999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).