N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide

C14H19N3O3 — CID 2948827

IUPACN-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCC(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-4-3-7-16(9-10)13-6-5-12(15-11(2)18)8-14(13)17(19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyRWNPEFNEOMZPAY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.79
Rot. Bonds3

About N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide

N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide (PubChem CID 2948827) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide
PubChem CID2948827
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCC(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-4-3-7-16(9-10)13-6-5-12(15-11(2)18)8-14(13)17(19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyRWNPEFNEOMZPAY-UHFFFAOYSA-N
XLogP2.79
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide (CID 2948827) is N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide is CC(=O)Nc1ccc(N2CCCC(C)C2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide?
The InChIKey is RWNPEFNEOMZPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-3-7-16(9-10)13-6-5-12(15-11(2)18)8-14(13)17(19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide?
N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]acetamide is sourced from PubChem (CID 2948827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).