2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide

C19H28N4O3 — CID 86904420

IUPAC2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C19H28N4O3/c1-20-19(24)17-12-16(23(25)26)9-10-18(17)21-14-6-5-11-22(13-14)15-7-3-2-4-8-15/h9-10,12,14-15,21H,2-8,11,13H2,1H3,(H,20,24)
InChIKeyOZZMGFFUMYLYRT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.16
Rot. Bonds5

About 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide

2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide (PubChem CID 86904420) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide
PubChem CID86904420
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C19H28N4O3/c1-20-19(24)17-12-16(23(25)26)9-10-18(17)21-14-6-5-11-22(13-14)15-7-3-2-4-8-15/h9-10,12,14-15,21H,2-8,11,13H2,1H3,(H,20,24)
InChIKeyOZZMGFFUMYLYRT-UHFFFAOYSA-N
XLogP3.16
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.16
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

2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide
CID 133296202
2-[3-(azepan-1-yl)piperidin-1-yl]-N-methyl-5-nitrobenzamide
CID 133454478
2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
CID 3695480
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
CID 22467377
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-5-nitrobenzonitrile
CID 47807763
2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
CID 70067874
tert-butyl (3R)-3-(2-carbamoyl-4-nitroanilino)piperidine-1-carboxylate
CID 124907561
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
methyl 3-(2-cyano-4-nitroanilino)piperidine-1-carboxylate
CID 133275695

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide (CID 86904420) is 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide?
The InChIKey is OZZMGFFUMYLYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-20-19(24)17-12-16(23(25)26)9-10-18(17)21-14-6-5-11-22(13-14)15-7-3-2-4-8-15/h9-10,12,14-15,21H,2-8,11,13H2,1H3,(H,20,24).
What are the key properties of 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide?
2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide has a molecular weight of 360.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 86904420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).