1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea

C10H22N4O — CID 43600356

IUPAC1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN1CCNCC1
InChIInChI=1S/C10H22N4O/c1-9(2)13-10(15)12-5-8-14-6-3-11-4-7-14/h9,11H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyGBWHAGCINQEHIH-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.40
Rot. Bonds4

About 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea

1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea (PubChem CID 43600356) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea
PubChem CID43600356
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN1CCNCC1
InChIInChI=1S/C10H22N4O/c1-9(2)13-10(15)12-5-8-14-6-3-11-4-7-14/h9,11H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyGBWHAGCINQEHIH-UHFFFAOYSA-N
XLogP-0.40
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea (CID 43600356) is 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCCN1CCNCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea?
The InChIKey is GBWHAGCINQEHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(2)13-10(15)12-5-8-14-6-3-11-4-7-14/h9,11H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea?
1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea has a molecular weight of 214.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)-3-propan-2-ylurea is sourced from PubChem (CID 43600356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).