(4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate

C13H15N3O5 — CID 22716634

IUPAC(4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate
SMILESNC(=O)N1CCC(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H15N3O5/c14-13(18)15-7-5-9(6-8-15)12(17)21-11-3-1-10(2-4-11)16(19)20/h1-4,9H,5-8H2,(H2,14,18)
InChIKeyXJHMZAWDZMZVNV-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.29
Rot. Bonds3

About (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate

(4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate (PubChem CID 22716634) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate
PubChem CID22716634
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name(4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate
SMILESNC(=O)N1CCC(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H15N3O5/c14-13(18)15-7-5-9(6-8-15)12(17)21-11-3-1-10(2-4-11)16(19)20/h1-4,9H,5-8H2,(H2,14,18)
InChIKeyXJHMZAWDZMZVNV-UHFFFAOYSA-N
XLogP1.29
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
CID 70076614
(4-nitrophenyl) 1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
CID 19391346
(4-nitrophenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 8764577
4-[(4-nitrophenyl)methoxycarbonyl]piperidine-1-carboxylic acid
CID 56995490
(4-nitrophenyl)methyl 1-acetylpiperidine-4-carboxylate
CID 78764011
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
CID 17230843
1-O-(2-methylbutan-2-yl) 4-O-[4-[2-(4-nitrophenyl)propan-2-yloxycarbonyl]phenyl] piperidine-1,4-dicarboxylate
CID 170199921
(4-nitrophenyl) (2S)-oxirane-2-carboxylate
CID 134880834
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
(4-nitrophenyl) 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 59047422
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
(4-nitrophenyl) 4-decanoyloxycyclohexane-1-carboxylate
CID 18606767

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate?
The IUPAC name of (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate (CID 22716634) is (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate.
What is the SMILES notation for (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate?
The canonical SMILES for (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate is NC(=O)N1CCC(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate?
The InChIKey is XJHMZAWDZMZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c14-13(18)15-7-5-9(6-8-15)12(17)21-11-3-1-10(2-4-11)16(19)20/h1-4,9H,5-8H2,(H2,14,18).
What are the key properties of (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate?
(4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate has a molecular weight of 293.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate is sourced from PubChem (CID 22716634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).