4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide

C15H22N4O4 — CID 95154450

IUPAC4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESCOC[C@@H](C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H22N4O4/c1-12(11-23-2)17-6-8-18(9-7-17)15(20)16-13-4-3-5-14(10-13)19(21)22/h3-5,10,12H,6-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1
InChIKeyGDDKZAWQUZOUQW-GFCCVEGCSA-N
MW322.36 g/mol
LogP1.78
Rot. Bonds5

About 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide

4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide (PubChem CID 95154450) has the molecular formula C15H22N4O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide
PubChem CID95154450
Molecular FormulaC15H22N4O4
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC Name4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESCOC[C@@H](C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H22N4O4/c1-12(11-23-2)17-6-8-18(9-7-17)15(20)16-13-4-3-5-14(10-13)19(21)22/h3-5,10,12H,6-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1
InChIKeyGDDKZAWQUZOUQW-GFCCVEGCSA-N
XLogP1.78
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
4-(3-methoxy-4-methylbenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 47049545
1-[(2R)-1-methoxypropan-2-yl]-3-(3-nitrophenyl)urea
CID 27870478
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 46563172
4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873
4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27869268
2-[1-[(3-nitrophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681624
4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27165112
4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 51133275
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
4-[(2-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 24626867

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide (CID 95154450) is 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide is COC[C@@H](C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is GDDKZAWQUZOUQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-12(11-23-2)17-6-8-18(9-7-17)15(20)16-13-4-3-5-14(10-13)19(21)22/h3-5,10,12H,6-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1.
What are the key properties of 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 95154450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).