(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide

C16H24N4O3 — CID 40741789

IUPAC(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N4O3/c1-3-8-17-16(21)13(2)18-9-11-19(12-10-18)14-4-6-15(7-5-14)20(22)23/h4-7,13H,3,8-12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyLOTZAJOPRLYHRO-ZDUSSCGKSA-N
MW320.39 g/mol
LogP1.63
Rot. Bonds6

About (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide

(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide (PubChem CID 40741789) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
PubChem CID40741789
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N4O3/c1-3-8-17-16(21)13(2)18-9-11-19(12-10-18)14-4-6-15(7-5-14)20(22)23/h4-7,13H,3,8-12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyLOTZAJOPRLYHRO-ZDUSSCGKSA-N
XLogP1.63
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
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'}

Analyze (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 42913625
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 4824587
2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46630643
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32861552
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2988792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide?
The IUPAC name of (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide (CID 40741789) is (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide is CCCNC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide?
The InChIKey is LOTZAJOPRLYHRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-8-17-16(21)13(2)18-9-11-19(12-10-18)14-4-6-15(7-5-14)20(22)23/h4-7,13H,3,8-12H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide?
(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide has a molecular weight of 320.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 40741789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).