1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide

C15H18N2O3 — CID 59571688

IUPAC1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(C=O)c2)CC1
InChIInChI=1S/C15H18N2O3/c1-11(19)17-7-5-13(6-8-17)15(20)16-14-4-2-3-12(9-14)10-18/h2-4,9-10,13H,5-8H2,1H3,(H,16,20)
InChIKeyVWRBGYAWLGCTAH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds3

About 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide

1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide (PubChem CID 59571688) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
PubChem CID59571688
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(C=O)c2)CC1
InChIInChI=1S/C15H18N2O3/c1-11(19)17-7-5-13(6-8-17)15(20)16-14-4-2-3-12(9-14)10-18/h2-4,9-10,13H,5-8H2,1H3,(H,16,20)
InChIKeyVWRBGYAWLGCTAH-UHFFFAOYSA-N
XLogP1.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
CID 106912818
N-(3-formylphenyl)oxane-3-carboxamide
CID 106912673
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108804438

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide (CID 59571688) is 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc(C=O)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide?
The InChIKey is VWRBGYAWLGCTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(19)17-7-5-13(6-8-17)15(20)16-14-4-2-3-12(9-14)10-18/h2-4,9-10,13H,5-8H2,1H3,(H,16,20).
What are the key properties of 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 59571688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).