N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide

C20H23N3O3 — CID 11035595

IUPACN-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H23N3O3/c24-20(14-16-4-2-1-3-5-16)21-18-10-12-22(13-11-18)15-17-6-8-19(9-7-17)23(25)26/h1-9,18H,10-15H2,(H,21,24)
InChIKeyMUMUQBOAUJDNTL-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.92
Rot. Bonds6

About N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 11035595) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID11035595
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H23N3O3/c24-20(14-16-4-2-1-3-5-16)21-18-10-12-22(13-11-18)15-17-6-8-19(9-7-17)23(25)26/h1-9,18H,10-15H2,(H,21,24)
InChIKeyMUMUQBOAUJDNTL-UHFFFAOYSA-N
XLogP2.92
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 11035595) is N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is MUMUQBOAUJDNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(14-16-4-2-1-3-5-16)21-18-10-12-22(13-11-18)15-17-6-8-19(9-7-17)23(25)26/h1-9,18H,10-15H2,(H,21,24).
What are the key properties of N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 353.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 11035595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).