N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide

C17H24N4O3 — CID 2932747

IUPACN-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H24N4O3/c22-17(18-14-4-2-1-3-5-14)20-12-10-19(11-13-20)15-6-8-16(9-7-15)21(23)24/h6-9,14H,1-5,10-13H2,(H,18,22)
InChIKeyBPEWVJKJZHYRTH-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.76
Rot. Bonds3

About N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide

N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 2932747) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID2932747
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H24N4O3/c22-17(18-14-4-2-1-3-5-14)20-12-10-19(11-13-20)15-6-8-16(9-7-15)21(23)24/h6-9,14H,1-5,10-13H2,(H,18,22)
InChIKeyBPEWVJKJZHYRTH-UHFFFAOYSA-N
XLogP2.76
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 27172798
(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide
CID 7777019
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-(3-cyclohexyloxypropyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41356313
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide
CID 9033186

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide (CID 2932747) is N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is BPEWVJKJZHYRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-17(18-14-4-2-1-3-5-14)20-12-10-19(11-13-20)15-6-8-16(9-7-15)21(23)24/h6-9,14H,1-5,10-13H2,(H,18,22).
What are the key properties of N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2932747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).