(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide

C21H25N3O3 — CID 1230131

IUPAC(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-15-8-6-9-16(2)19(15)22-21(25)20(23-12-4-3-5-13-23)17-10-7-11-18(14-17)24(26)27/h6-11,14,20H,3-5,12-13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyKQOQYXRJXSPTCI-HXUWFJFHSA-N
MW367.45 g/mol
LogP4.38
Rot. Bonds5

About (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide

(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 1230131) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID1230131
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-15-8-6-9-16(2)19(15)22-21(25)20(23-12-4-3-5-13-23)17-10-7-11-18(14-17)24(26)27/h6-11,14,20H,3-5,12-13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyKQOQYXRJXSPTCI-HXUWFJFHSA-N
XLogP4.38
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 7317186
2-(3-nitrophenyl)-2-piperidin-1-ylacetic acid
CID 84747846
N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide
CID 45146535
2-(3-nitrophenyl)-2-piperidin-1-ylethanethioamide
CID 84749908
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)acetamide
CID 3581479
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 27877890
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
CID 3108201
2-(azepan-1-yl)-2-(3-nitrophenyl)acetonitrile
CID 84756567
2-(3-nitrophenyl)-2-piperidin-1-ylacetonitrile
CID 84757733
N-[(1S)-2-(2,6-dimethylanilino)-1-(3-nitrophenyl)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 1104140
2-methyl-5-[(3-nitrophenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 10474492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide (CID 1230131) is (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide is Cc1cccc(C)c1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1.
What is the InChIKey of (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is KQOQYXRJXSPTCI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-8-6-9-16(2)19(15)22-21(25)20(23-12-4-3-5-13-23)17-10-7-11-18(14-17)24(26)27/h6-11,14,20H,3-5,12-13H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 367.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1230131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).