N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide

C15H22N4O3 — CID 2988792

IUPACN,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-3-16(4-2)15(20)18-11-9-17(10-12-18)13-5-7-14(8-6-13)19(21)22/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGSPYNEMNYXNTSO-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.18
Rot. Bonds4

About N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide

N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 2988792) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID2988792
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-3-16(4-2)15(20)18-11-9-17(10-12-18)13-5-7-14(8-6-13)19(21)22/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGSPYNEMNYXNTSO-UHFFFAOYSA-N
XLogP2.18
TPSA69.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
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

1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 5197218
(4-methylpiperazin-1-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 58993930
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
1-[4-(4-nitrophenyl)piperazin-1-yl]undecan-1-one
CID 4640074
2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 61265070
3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]but-2-en-1-one
CID 9161129
(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
CID 40741789
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]sulfanylpropan-1-one
CID 4166020
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-sulfonamide
CID 31753109
N,N-diethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 141409024
4-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 79203278
2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]propanedioic acid
CID 68508509

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide (CID 2988792) is N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is GSPYNEMNYXNTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-16(4-2)15(20)18-11-9-17(10-12-18)13-5-7-14(8-6-13)19(21)22/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide?
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2988792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).