2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde

C13H17N3O2 — CID 144817196

IUPAC2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde
SMILESCC1(C)CN(C(=O)c2ccccn2)CCN1C=O
InChIInChI=1S/C13H17N3O2/c1-13(2)9-15(7-8-16(13)10-17)12(18)11-5-3-4-6-14-11/h3-6,10H,7-9H2,1-2H3
InChIKeyKIXRCJFQHFGLOH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.77
Rot. Bonds2

About 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde

2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde (PubChem CID 144817196) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde
PubChem CID144817196
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde
SMILESCC1(C)CN(C(=O)c2ccccn2)CCN1C=O
InChIInChI=1S/C13H17N3O2/c1-13(2)9-15(7-8-16(13)10-17)12(18)11-5-3-4-6-14-11/h3-6,10H,7-9H2,1-2H3
InChIKeyKIXRCJFQHFGLOH-UHFFFAOYSA-N
XLogP0.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
N-tert-butyl-4-(pyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813237
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947
(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97398896
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde (CID 144817196) is 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde is CC1(C)CN(C(=O)c2ccccn2)CCN1C=O.
What is the InChIKey of 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is KIXRCJFQHFGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)9-15(7-8-16(13)10-17)12(18)11-5-3-4-6-14-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde?
2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 144817196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).