1-methyl-3-piperazin-1-ylurea

C6H14N4O — CID 67352937

IUPAC1-methyl-3-piperazin-1-ylurea
SMILESCNC(=O)NN1CCNCC1
InChIInChI=1S/C6H14N4O/c1-7-6(11)9-10-4-2-8-3-5-10/h8H,2-5H2,1H3,(H2,7,9,11)
InChIKeyUCRPBFNVZAVLTN-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.26
Rot. Bonds1

About 1-methyl-3-piperazin-1-ylurea

1-methyl-3-piperazin-1-ylurea (PubChem CID 67352937) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-3-piperazin-1-ylurea.

Molecular Properties

Compound Name1-methyl-3-piperazin-1-ylurea
PubChem CID67352937
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name1-methyl-3-piperazin-1-ylurea
SMILESCNC(=O)NN1CCNCC1
InChIInChI=1S/C6H14N4O/c1-7-6(11)9-10-4-2-8-3-5-10/h8H,2-5H2,1H3,(H2,7,9,11)
InChIKeyUCRPBFNVZAVLTN-UHFFFAOYSA-N
XLogP-1.26
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperazin-1-ylurea?
The IUPAC name of 1-methyl-3-piperazin-1-ylurea (CID 67352937) is 1-methyl-3-piperazin-1-ylurea.
What is the SMILES notation for 1-methyl-3-piperazin-1-ylurea?
The canonical SMILES for 1-methyl-3-piperazin-1-ylurea is CNC(=O)NN1CCNCC1.
What is the InChIKey of 1-methyl-3-piperazin-1-ylurea?
The InChIKey is UCRPBFNVZAVLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-7-6(11)9-10-4-2-8-3-5-10/h8H,2-5H2,1H3,(H2,7,9,11).
What are the key properties of 1-methyl-3-piperazin-1-ylurea?
1-methyl-3-piperazin-1-ylurea has a molecular weight of 158.20 g/mol, XLogP of -1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperazin-1-ylurea is sourced from PubChem (CID 67352937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).