1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide

C19H21N3O3 — CID 9134208

IUPAC1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(20-17-4-2-1-3-5-17)16-10-12-21(13-11-16)14-15-6-8-18(9-7-15)22(24)25/h1-9,16H,10-14H2,(H,20,23)
InChIKeyPHFXPLPGTSAQKJ-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.45
Rot. Bonds5

About 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide

1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134208) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134208
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(20-17-4-2-1-3-5-17)16-10-12-21(13-11-16)14-15-6-8-18(9-7-15)22(24)25/h1-9,16H,10-14H2,(H,20,23)
InChIKeyPHFXPLPGTSAQKJ-UHFFFAOYSA-N
XLogP3.45
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.45
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

N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-[3-(3-nitroanilino)-3-oxopropyl]-N-phenylpiperidine-4-carboxamide
CID 46685685
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
1-[(4-chlorophenyl)methyl]-N-[(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 1273677
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 43923221
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
tert-butyl 1-[(4-nitrophenyl)methyl]piperidine-4-carboxylate
CID 169448957
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide (CID 9134208) is 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is PHFXPLPGTSAQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(20-17-4-2-1-3-5-17)16-10-12-21(13-11-16)14-15-6-8-18(9-7-15)22(24)25/h1-9,16H,10-14H2,(H,20,23).
What are the key properties of 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).