4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide

C13H17N3O4 — CID 60958056

IUPAC4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CO)CC1
InChIInChI=1S/C13H17N3O4/c17-9-10-5-7-15(8-6-10)13(18)14-11-1-3-12(4-2-11)16(19)20/h1-4,10,17H,5-9H2,(H,14,18)
InChIKeyPEAAHOMWCIDEJD-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.83
Rot. Bonds3

About 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide (PubChem CID 60958056) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
PubChem CID60958056
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CO)CC1
InChIInChI=1S/C13H17N3O4/c17-9-10-5-7-15(8-6-10)13(18)14-11-1-3-12(4-2-11)16(19)20/h1-4,10,17H,5-9H2,(H,14,18)
InChIKeyPEAAHOMWCIDEJD-UHFFFAOYSA-N
XLogP1.83
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
(1R,7R)-7-methyl-N-(4-nitrophenyl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 124844078
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478
N-(3-ethoxy-4-nitrophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126834831
4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide
CID 7346790
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 18588520
N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 4991386

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide (CID 60958056) is 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is PEAAHOMWCIDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-9-10-5-7-15(8-6-10)13(18)14-11-1-3-12(4-2-11)16(19)20/h1-4,10,17H,5-9H2,(H,14,18).
What are the key properties of 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 60958056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).