1-oxaldehydoylpiperidine-2-carboxamide

C8H12N2O3 — CID 123380194

IUPAC1-oxaldehydoylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C=O
InChIInChI=1S/C8H12N2O3/c9-8(13)6-3-1-2-4-10(6)7(12)5-11/h5-6H,1-4H2,(H2,9,13)
InChIKeyMIWAZLZIYQRWND-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.95
Rot. Bonds2

About 1-oxaldehydoylpiperidine-2-carboxamide

1-oxaldehydoylpiperidine-2-carboxamide (PubChem CID 123380194) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-oxaldehydoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-oxaldehydoylpiperidine-2-carboxamide
PubChem CID123380194
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-oxaldehydoylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C=O
InChIInChI=1S/C8H12N2O3/c9-8(13)6-3-1-2-4-10(6)7(12)5-11/h5-6H,1-4H2,(H2,9,13)
InChIKeyMIWAZLZIYQRWND-UHFFFAOYSA-N
XLogP-0.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-propanoylpiperidine-2-carboxamide
CID 60717244
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
CID 97315922
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
(2S)-1-iodopiperidine-2-carboxamide
CID 154003714
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
4-(2-carbamoylpiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991584

Frequently Asked Questions

What is the IUPAC name of 1-oxaldehydoylpiperidine-2-carboxamide?
The IUPAC name of 1-oxaldehydoylpiperidine-2-carboxamide (CID 123380194) is 1-oxaldehydoylpiperidine-2-carboxamide.
What is the SMILES notation for 1-oxaldehydoylpiperidine-2-carboxamide?
The canonical SMILES for 1-oxaldehydoylpiperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)C=O.
What is the InChIKey of 1-oxaldehydoylpiperidine-2-carboxamide?
The InChIKey is MIWAZLZIYQRWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-8(13)6-3-1-2-4-10(6)7(12)5-11/h5-6H,1-4H2,(H2,9,13).
What are the key properties of 1-oxaldehydoylpiperidine-2-carboxamide?
1-oxaldehydoylpiperidine-2-carboxamide has a molecular weight of 184.19 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaldehydoylpiperidine-2-carboxamide is sourced from PubChem (CID 123380194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).