4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde

C23H28N4O2 — CID 109168855

IUPAC4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(N3CCC(Cc4ccccc4)CC3)c2)CC1
InChIInChI=1S/C23H28N4O2/c28-18-25-12-14-27(15-13-25)23(29)21-6-9-24-22(17-21)26-10-7-20(8-11-26)16-19-4-2-1-3-5-19/h1-6,9,17-18,20H,7-8,10-16H2
InChIKeyMDMLYVOBZURBKE-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.45
Rot. Bonds5

About 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109168855) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109168855
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(N3CCC(Cc4ccccc4)CC3)c2)CC1
InChIInChI=1S/C23H28N4O2/c28-18-25-12-14-27(15-13-25)23(29)21-6-9-24-22(17-21)26-10-7-20(8-11-26)16-19-4-2-1-3-5-19/h1-6,9,17-18,20H,7-8,10-16H2
InChIKeyMDMLYVOBZURBKE-UHFFFAOYSA-N
XLogP2.45
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.45
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

4-[6-(4-benzylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 109345607
2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171652
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
CID 109175499
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 84574544
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
(4-benzylpiperidin-1-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone
CID 15997347
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 125009206

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde (CID 109168855) is 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccnc(N3CCC(Cc4ccccc4)CC3)c2)CC1.
What is the InChIKey of 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is MDMLYVOBZURBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-18-25-12-14-27(15-13-25)23(29)21-6-9-24-22(17-21)26-10-7-20(8-11-26)16-19-4-2-1-3-5-19/h1-6,9,17-18,20H,7-8,10-16H2.
What are the key properties of 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 392.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109168855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).