4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde

C17H24N4O2 — CID 109186964

IUPAC4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC1CCCN(c2ccc(C(=O)N3CCN(C=O)CC3)nc2)C1
InChIInChI=1S/C17H24N4O2/c1-14-3-2-6-21(12-14)15-4-5-16(18-11-15)17(23)20-9-7-19(13-22)8-10-20/h4-5,11,13-14H,2-3,6-10,12H2,1H3
InChIKeyJSYZNDSSCHJOKS-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.23
Rot. Bonds3

About 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109186964) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109186964
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC1CCCN(c2ccc(C(=O)N3CCN(C=O)CC3)nc2)C1
InChIInChI=1S/C17H24N4O2/c1-14-3-2-6-21(12-14)15-4-5-16(18-11-15)17(23)20-9-7-19(13-22)8-10-20/h4-5,11,13-14H,2-3,6-10,12H2,1H3
InChIKeyJSYZNDSSCHJOKS-UHFFFAOYSA-N
XLogP1.23
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186812
3,4-dihydro-2H-quinolin-1-yl-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196432
4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186951
(2-ethylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196164
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109194295
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109186964) is 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde is CC1CCCN(c2ccc(C(=O)N3CCN(C=O)CC3)nc2)C1.
What is the InChIKey of 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is JSYZNDSSCHJOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-14-3-2-6-21(12-14)15-4-5-16(18-11-15)17(23)20-9-7-19(13-22)8-10-20/h4-5,11,13-14H,2-3,6-10,12H2,1H3.
What are the key properties of 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 316.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109186964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).