2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide

C15H21N3O3 — CID 8930781

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H21N3O3/c1-11-7-12(2)9-17(8-11)10-15(19)16-13-3-5-14(6-4-13)18(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyHFOAQIPOOZCYJI-RYUDHWBXSA-N
MW291.35 g/mol
LogP2.51
Rot. Bonds4

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide

2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 8930781) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID8930781
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H21N3O3/c1-11-7-12(2)9-17(8-11)10-15(19)16-13-3-5-14(6-4-13)18(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyHFOAQIPOOZCYJI-RYUDHWBXSA-N
XLogP2.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.51
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

2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759
2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
CID 47135180
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9034213
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8540814
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8930876
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
2-(3,5-dimethylpiperidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 17401562
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide
CID 55381834
N-(3,4-dimethoxyphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930671
2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4278623

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide (CID 8930781) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide is C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is HFOAQIPOOZCYJI-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-7-12(2)9-17(8-11)10-15(19)16-13-3-5-14(6-4-13)18(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8930781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).