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

C18H26N4O3 — CID 133296202

IUPAC2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C18H26N4O3/c19-18(23)16-11-15(22(24)25)8-9-17(16)20-13-5-4-10-21(12-13)14-6-2-1-3-7-14/h8-9,11,13-14,20H,1-7,10,12H2,(H2,19,23)
InChIKeyDYHWOZCTKYMDOG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.90
Rot. Bonds5

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

2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide (PubChem CID 133296202) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide
PubChem CID133296202
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C18H26N4O3/c19-18(23)16-11-15(22(24)25)8-9-17(16)20-13-5-4-10-21(12-13)14-6-2-1-3-7-14/h8-9,11,13-14,20H,1-7,10,12H2,(H2,19,23)
InChIKeyDYHWOZCTKYMDOG-UHFFFAOYSA-N
XLogP2.90
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.90
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]-N-methyl-5-nitrobenzamide
CID 86904420
tert-butyl (3R)-3-(2-carbamoyl-4-nitroanilino)piperidine-1-carboxylate
CID 124907561
5-nitro-2-(piperidin-3-ylamino)benzamide
CID 63318654
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
2-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-5-nitrobenzamide
CID 133325741
N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
CID 22467377
2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
CID 3695480
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-5-nitrobenzonitrile
CID 47807763
2-[(2-methylpiperidin-4-yl)amino]-5-nitrobenzamide
CID 106996191
2-[(1-methylpiperidin-3-yl)methylamino]-5-nitrobenzamide
CID 133454540
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide?
The IUPAC name of 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide (CID 133296202) is 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide.
What is the SMILES notation for 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide?
The canonical SMILES for 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide?
The InChIKey is DYHWOZCTKYMDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-18(23)16-11-15(22(24)25)8-9-17(16)20-13-5-4-10-21(12-13)14-6-2-1-3-7-14/h8-9,11,13-14,20H,1-7,10,12H2,(H2,19,23).
What are the key properties of 2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide?
2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide has a molecular weight of 346.43 g/mol, XLogP of 2.90, 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]-5-nitrobenzamide is sourced from PubChem (CID 133296202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).