2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide

C19H30N4O3 — CID 46630643

IUPAC2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H30N4O3/c1-14(2)22(15(3)4)19(24)16(5)20-10-12-21(13-11-20)17-6-8-18(9-7-17)23(25)26/h6-9,14-16H,10-13H2,1-5H3
InChIKeyWARDQJRNEWXGPP-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide

2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide (PubChem CID 46630643) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
PubChem CID46630643
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H30N4O3/c1-14(2)22(15(3)4)19(24)16(5)20-10-12-21(13-11-20)17-6-8-18(9-7-17)23(25)26/h6-9,14-16H,10-13H2,1-5H3
InChIKeyWARDQJRNEWXGPP-UHFFFAOYSA-N
XLogP2.75
TPSA69.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
CID 40741789
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32861552
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 26299527
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2988792
N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 4824587
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide (CID 46630643) is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide is CC(C(=O)N(C(C)C)C(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is WARDQJRNEWXGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14(2)22(15(3)4)19(24)16(5)20-10-12-21(13-11-20)17-6-8-18(9-7-17)23(25)26/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide?
2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 46630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).