4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde

C14H20N4O3 — CID 3854189

IUPAC4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2coc(C3CCNCC3)n2)CC1
InChIInChI=1S/C14H20N4O3/c19-10-17-5-7-18(8-6-17)14(20)12-9-21-13(16-12)11-1-3-15-4-2-11/h9-11,15H,1-8H2
InChIKeyRZRJAHJYKIZFIQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.06
Rot. Bonds3

About 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde

4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde (PubChem CID 3854189) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde
PubChem CID3854189
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2coc(C3CCNCC3)n2)CC1
InChIInChI=1S/C14H20N4O3/c19-10-17-5-7-18(8-6-17)14(20)12-9-21-13(16-12)11-1-3-15-4-2-11/h9-11,15H,1-8H2
InChIKeyRZRJAHJYKIZFIQ-UHFFFAOYSA-N
XLogP0.06
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid
CID 138054920
N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3868751
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3502630
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3870656
1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082176

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde (CID 3854189) is 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2coc(C3CCNCC3)n2)CC1.
What is the InChIKey of 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is RZRJAHJYKIZFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-10-17-5-7-18(8-6-17)14(20)12-9-21-13(16-12)11-1-3-15-4-2-11/h9-11,15H,1-8H2.
What are the key properties of 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde?
4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 292.34 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 3854189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).