3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide

C12H16N4O3 — CID 61295716

IUPAC3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESNC1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C12H16N4O3/c13-9-3-2-6-15(8-9)12(17)14-10-4-1-5-11(7-10)16(18)19/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,17)
InChIKeyWBBNDOKAZKYYTH-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.55
Rot. Bonds2

About 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide

3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide (PubChem CID 61295716) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide
PubChem CID61295716
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESNC1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C12H16N4O3/c13-9-3-2-6-15(8-9)12(17)14-10-4-1-5-11(7-10)16(18)19/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,17)
InChIKeyWBBNDOKAZKYYTH-UHFFFAOYSA-N
XLogP1.55
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.55
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

1-(3-Nitrophenyl)-3-phenylurea
CID 302800
1,3-Bis(3-nitrophenyl)urea
CID 237811
1-(3-Nitrophenyl)piperazine
CID 2760216
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
N-(2-Nitrophenyl)-N'-[3-(1-pyrrolidinyl)propyl]urea
CID 2968203
N-[2-(dimethylamino)ethyl]-N'-(4-nitrophenyl)urea
CID 2954811
N-ethyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 2974347
N-(4-nitrophenyl)piperidine-1-carboxamide
CID 270383
1,1-Diethyl-3-(4-nitrophenyl)urea
CID 270326
4-Nitrophenyl aminoethylurea
CID 7342344
1-Cyclohexyl-3-(4-nitrophenyl)urea
CID 4299916

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide (CID 61295716) is 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide is NC1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is WBBNDOKAZKYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-9-3-2-6-15(8-9)12(17)14-10-4-1-5-11(7-10)16(18)19/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,17).
What are the key properties of 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide?
3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 61295716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).