4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione

C26H34N4O2 — CID 14183683

IUPAC4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3ncccc3-c3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C26H34N4O2/c1-26(2)19-23(31)30(24(32)20-26)14-7-6-13-28-15-17-29(18-16-28)25-22(11-8-12-27-25)21-9-4-3-5-10-21/h3-5,8-12H,6-7,13-20H2,1-2H3
InChIKeyWXONACZIXYFYMN-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.83
Rot. Bonds7

About 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione

4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione (PubChem CID 14183683) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione
PubChem CID14183683
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3ncccc3-c3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C26H34N4O2/c1-26(2)19-23(31)30(24(32)20-26)14-7-6-13-28-15-17-29(18-16-28)25-22(11-8-12-27-25)21-9-4-3-5-10-21/h3-5,8-12H,6-7,13-20H2,1-2H3
InChIKeyWXONACZIXYFYMN-UHFFFAOYSA-N
XLogP3.83
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione with MolForge

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Related Compounds

Netupitant
CID 6451149
6-(4-{[4-(Propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
CID 139532134
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 118174089
1-(4-Methylbenzoyl)-4-(2-pyridinyl)piperazine
CID 706998
2-Propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 3593803
Mesmar
CID 3025767
6-[4-(pyridin-2-yl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 24768525
N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 71455083
(3,4-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 888130
(3,5-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 912542
N-benzyl-2,2-dimethyl-N-(pyridin-2-yl)propanamide
CID 1122454
4-[2-Oxo-1-pyridin-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzonitrile
CID 76324755

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione (CID 14183683) is 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione is CC1(C)CC(=O)N(CCCCN2CCN(c3ncccc3-c3ccccc3)CC2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
The InChIKey is WXONACZIXYFYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-26(2)19-23(31)30(24(32)20-26)14-7-6-13-28-15-17-29(18-16-28)25-22(11-8-12-27-25)21-9-4-3-5-10-21/h3-5,8-12H,6-7,13-20H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione has a molecular weight of 434.58 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)piperazin-1-yl]butyl]piperidine-2,6-dione is sourced from PubChem (CID 14183683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).