N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide

C17H25N3O3 — CID 60558571

IUPACN-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H25N3O3/c1-3-10-19-11-8-15(9-12-19)18(2)17(21)13-14-6-4-5-7-16(14)20(22)23/h4-7,15H,3,8-13H2,1-2H3
InChIKeyPRVPAEQWMUZBBR-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide

N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 60558571) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID60558571
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H25N3O3/c1-3-10-19-11-8-15(9-12-19)18(2)17(21)13-14-6-4-5-7-16(14)20(22)23/h4-7,15H,3,8-13H2,1-2H3
InChIKeyPRVPAEQWMUZBBR-UHFFFAOYSA-N
XLogP2.47
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
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

N-(4-ethylphenyl)-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 42856586
N-(1-aminopropan-2-yl)-N-methyl-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119581257
N-(4-ethylphenyl)-2-methyl-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]propanamide
CID 46052039
N-(1,1-dioxothiolan-3-yl)-2-(2-nitrophenyl)-N-propylacetamide
CID 78789212
2-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
3-[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 60844176
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
CID 102959518
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide (CID 60558571) is N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is PRVPAEQWMUZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-10-19-11-8-15(9-12-19)18(2)17(21)13-14-6-4-5-7-16(14)20(22)23/h4-7,15H,3,8-13H2,1-2H3.
What are the key properties of N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-nitrophenyl)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 60558571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).