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

C17H24N4O3 — CID 2932747

IUPACN-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESC1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
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
LogP2.80
Rot. Bonds2

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
SMILESC1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
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
XLogP2.80
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity432

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.80
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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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 C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-].
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 2.80, 2 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).