1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione

C14H25N3O2 — CID 103500750

IUPAC1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
SMILESCC(C)C1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)12-3-7-16(8-4-12)13(18)14(19)17-9-5-15-6-10-17/h11-12,15H,3-10H2,1-2H3
InChIKeyKYUOQTSMKXPJCL-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.31
Rot. Bonds1

About 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione

1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 103500750) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
PubChem CID103500750
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
SMILESCC(C)C1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)12-3-7-16(8-4-12)13(18)14(19)17-9-5-15-6-10-17/h11-12,15H,3-10H2,1-2H3
InChIKeyKYUOQTSMKXPJCL-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione with MolForge

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Related Compounds

piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458
3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 169181796
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
CID 170432830

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione (CID 103500750) is 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione is CC(C)C1CCN(C(=O)C(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is KYUOQTSMKXPJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)12-3-7-16(8-4-12)13(18)14(19)17-9-5-15-6-10-17/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione?
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 267.37 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 103500750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).