1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione

C17H25N5O2 — CID 601011

IUPAC1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H25N5O2/c23-15-5-3-6-16(24)22(15)10-2-1-9-20-11-13-21(14-12-20)17-18-7-4-8-19-17/h4,7-8H,1-3,5-6,9-14H2
InChIKeyOZTKSRBLGSYDMW-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.92
Rot. Bonds6

About 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione

1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione (PubChem CID 601011) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
PubChem CID601011
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H25N5O2/c23-15-5-3-6-16(24)22(15)10-2-1-9-20-11-13-21(14-12-20)17-18-7-4-8-19-17/h4,7-8H,1-3,5-6,9-14H2
InChIKeyOZTKSRBLGSYDMW-UHFFFAOYSA-N
XLogP0.92
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Buspirone
CID 2477
Buspirone Hydrochloride
CID 36431
Gepirone
CID 55191
Gepirone monohydrochloride
CID 55190
Eptapirone
CID 208928
Sunepitron
CID 183092
delta-Oxo-4-(2-pyrimidinyl)-1-piperazinepentanoic acid
CID 2815238
2-[2-(3-Fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72793651
8-[3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl]-8-azaspiro[4.5]decane-7,9-dione
CID 4713258
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13254321
8-[3-(4-Pyrimidin-2-ylpiperazin-1-yl)propoxy]-8-azaspiro[4.5]decane-7,9-dione
CID 14280591
8-[2-(4-Pyrimidin-2-ylpiperazin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 21517011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione (CID 601011) is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The InChIKey is OZTKSRBLGSYDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-15-5-3-6-16(24)22(15)10-2-1-9-20-11-13-21(14-12-20)17-18-7-4-8-19-17/h4,7-8H,1-3,5-6,9-14H2.
What are the key properties of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione has a molecular weight of 331.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione is sourced from PubChem (CID 601011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).