1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione

C15H26N4O2 — CID 166238441

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione
SMILESC[C@H]1CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)CCN1
InChIInChI=1S/C15H26N4O2/c1-12-10-19(5-4-16-12)15(21)14(20)18-8-6-17(7-9-18)11-13-2-3-13/h12-13,16H,2-11H2,1H3/t12-/m0/s1
InChIKeyZIWNFKALUXBVGS-LBPRGKRZSA-N
MW294.40 g/mol
LogP-0.64
Rot. Bonds2

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione

1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione (PubChem CID 166238441) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione
PubChem CID166238441
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione
SMILESC[C@H]1CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)CCN1
InChIInChI=1S/C15H26N4O2/c1-12-10-19(5-4-16-12)15(21)14(20)18-8-6-17(7-9-18)11-13-2-3-13/h12-13,16H,2-11H2,1H3/t12-/m0/s1
InChIKeyZIWNFKALUXBVGS-LBPRGKRZSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione with MolForge

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Related Compounds

(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione
CID 166269992
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 120849271
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 120849270
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione (CID 166238441) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione is C[C@H]1CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)CCN1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione?
The InChIKey is ZIWNFKALUXBVGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-10-19(5-4-16-12)15(21)14(20)18-8-6-17(7-9-18)11-13-2-3-13/h12-13,16H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione has a molecular weight of 294.40 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(3S)-3-methylpiperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 166238441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).