5-nitro-2-(piperidin-3-ylamino)benzamide

C12H16N4O3 — CID 63318654

IUPAC5-nitro-2-(piperidin-3-ylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCNC1
InChIInChI=1S/C12H16N4O3/c13-12(17)10-6-9(16(18)19)3-4-11(10)15-8-2-1-5-14-7-8/h3-4,6,8,14-15H,1-2,5,7H2,(H2,13,17)
InChIKeyWHSMCRXHWIRBNN-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.86
Rot. Bonds4

About 5-nitro-2-(piperidin-3-ylamino)benzamide

5-nitro-2-(piperidin-3-ylamino)benzamide (PubChem CID 63318654) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-nitro-2-(piperidin-3-ylamino)benzamide.

Molecular Properties

Compound Name5-nitro-2-(piperidin-3-ylamino)benzamide
PubChem CID63318654
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-nitro-2-(piperidin-3-ylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCNC1
InChIInChI=1S/C12H16N4O3/c13-12(17)10-6-9(16(18)19)3-4-11(10)15-8-2-1-5-14-7-8/h3-4,6,8,14-15H,1-2,5,7H2,(H2,13,17)
InChIKeyWHSMCRXHWIRBNN-UHFFFAOYSA-N
XLogP0.86
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
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

2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
2-[(2-methylpiperidin-4-yl)amino]-5-nitrobenzamide
CID 106996191
N-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63318856
2-(piperidin-3-ylamino)benzamide
CID 63319381
2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide
CID 133296202
tert-butyl (3R)-3-(2-carbamoyl-4-nitroanilino)piperidine-1-carboxylate
CID 124907561
5-nitro-2-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104973145
6-nitro-N-piperidin-3-yl-1H-benzimidazol-2-amine
CID 71635836
2-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-5-nitrobenzamide
CID 133325741
5-nitro-2-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661956
N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
CID 22467377
5-nitro-2-(2-piperidin-3-ylethoxy)pyridine-3-carboxamide
CID 62358030

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(piperidin-3-ylamino)benzamide?
The IUPAC name of 5-nitro-2-(piperidin-3-ylamino)benzamide (CID 63318654) is 5-nitro-2-(piperidin-3-ylamino)benzamide.
What is the SMILES notation for 5-nitro-2-(piperidin-3-ylamino)benzamide?
The canonical SMILES for 5-nitro-2-(piperidin-3-ylamino)benzamide is NC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCNC1.
What is the InChIKey of 5-nitro-2-(piperidin-3-ylamino)benzamide?
The InChIKey is WHSMCRXHWIRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-12(17)10-6-9(16(18)19)3-4-11(10)15-8-2-1-5-14-7-8/h3-4,6,8,14-15H,1-2,5,7H2,(H2,13,17).
What are the key properties of 5-nitro-2-(piperidin-3-ylamino)benzamide?
5-nitro-2-(piperidin-3-ylamino)benzamide has a molecular weight of 264.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(piperidin-3-ylamino)benzamide is sourced from PubChem (CID 63318654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).