4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide

C11H14N4O2 — CID 110706402

IUPAC4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C11H14N4O2/c16-9-14-4-6-15(7-5-14)11(17)13-10-2-1-3-12-8-10/h1-3,8-9H,4-7H2,(H,13,17)
InChIKeyXHLVWADFPXMWHP-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.39
Rot. Bonds2

About 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide

4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 110706402) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID110706402
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C11H14N4O2/c16-9-14-4-6-15(7-5-14)11(17)13-10-2-1-3-12-8-10/h1-3,8-9H,4-7H2,(H,13,17)
InChIKeyXHLVWADFPXMWHP-UHFFFAOYSA-N
XLogP0.39
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.39
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

4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883942
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide
CID 138674290
N-phenyl-4-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 118068179
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 164898189
4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
CID 129004395
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide (CID 110706402) is 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide is O=CN1CCN(C(=O)Nc2cccnc2)CC1.
What is the InChIKey of 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is XHLVWADFPXMWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-9-14-4-6-15(7-5-14)11(17)13-10-2-1-3-12-8-10/h1-3,8-9H,4-7H2,(H,13,17).
What are the key properties of 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide?
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110706402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).