4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide

C17H25N4O3+ — CID 7346790

IUPAC4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C17H24N4O3/c22-17(18-14-6-8-16(9-7-14)21(23)24)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,18,22)/p+1
InChIKeyPCSNULYNASOKKN-UHFFFAOYSA-O
MW333.41 g/mol
LogP1.66
Rot. Bonds3

About 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide

4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide (PubChem CID 7346790) has the molecular formula C17H25N4O3+ and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide
PubChem CID7346790
Molecular FormulaC17H25N4O3+
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C17H24N4O3/c22-17(18-14-6-8-16(9-7-14)21(23)24)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,18,22)/p+1
InChIKeyPCSNULYNASOKKN-UHFFFAOYSA-O
XLogP1.66
TPSA79.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
CID 7364521
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
4-[(4-methylphenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide
CID 7469985
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
(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-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 4991386
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylate
CID 46513780
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide?
The IUPAC name of 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide (CID 7346790) is 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide?
The InChIKey is PCSNULYNASOKKN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O3/c22-17(18-14-6-8-16(9-7-14)21(23)24)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,18,22)/p+1.
What are the key properties of 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide?
4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7346790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).