1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea

C12H24N8O2 — CID 131722135

IUPAC1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea
SMILESCN1CCNCC1NC(=O)N=NC(=O)NC1CNCCN1C
InChIInChI=1S/C12H24N8O2/c1-19-5-3-13-7-9(19)15-11(21)17-18-12(22)16-10-8-14-4-6-20(10)2/h9-10,13-14H,3-8H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyJMCXRQZPNLYNCN-UHFFFAOYSA-N
MW312.38 g/mol
LogP-1.42
Rot. Bonds2

About 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea

1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea (PubChem CID 131722135) has the molecular formula C12H24N8O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea.

Molecular Properties

Compound Name1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea
PubChem CID131722135
Molecular FormulaC12H24N8O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea
SMILESCN1CCNCC1NC(=O)N=NC(=O)NC1CNCCN1C
InChIInChI=1S/C12H24N8O2/c1-19-5-3-13-7-9(19)15-11(21)17-18-12(22)16-10-8-14-4-6-20(10)2/h9-10,13-14H,3-8H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyJMCXRQZPNLYNCN-UHFFFAOYSA-N
XLogP-1.42
TPSA113.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(sulfinatoamino)piperazine;hydrochloride
CID 174552263
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
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CID 142036342
(2R)-N-cyclobutyl-1-methylpiperazine-2-carboxamide
CID 89103840
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
1,2-dimethylpiperazine;hydrate
CID 173257182
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide
CID 115177737
propan-2-yl 1-methylpiperazine-2-carboxylate
CID 175918084
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
2-(1-methylpiperazin-2-yl)oxyacetic acid
CID 70343021
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234848

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea?
The IUPAC name of 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea (CID 131722135) is 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea.
What is the SMILES notation for 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea?
The canonical SMILES for 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea is CN1CCNCC1NC(=O)N=NC(=O)NC1CNCCN1C.
What is the InChIKey of 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea?
The InChIKey is JMCXRQZPNLYNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N8O2/c1-19-5-3-13-7-9(19)15-11(21)17-18-12(22)16-10-8-14-4-6-20(10)2/h9-10,13-14H,3-8H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea?
1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea has a molecular weight of 312.38 g/mol, XLogP of -1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperazin-2-yl)-3-[(1-methylpiperazin-2-yl)carbamoylimino]urea is sourced from PubChem (CID 131722135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).