1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea

C13H26N4O — CID 4056008

IUPAC1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCN1CCNCC1)NC1CCCCC1
InChIInChI=1S/C13H26N4O/c18-13(16-12-4-2-1-3-5-12)15-8-11-17-9-6-14-7-10-17/h12,14H,1-11H2,(H2,15,16,18)
InChIKeyZVVXXLMKEFEGBO-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.52
Rot. Bonds4

About 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea

1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea (PubChem CID 4056008) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
PubChem CID4056008
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCN1CCNCC1)NC1CCCCC1
InChIInChI=1S/C13H26N4O/c18-13(16-12-4-2-1-3-5-12)15-8-11-17-9-6-14-7-10-17/h12,14H,1-11H2,(H2,15,16,18)
InChIKeyZVVXXLMKEFEGBO-UHFFFAOYSA-N
XLogP0.52
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
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CID 117235825
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
CID 142100841
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CID 55457976

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea (CID 4056008) is 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea is O=C(NCCN1CCNCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is ZVVXXLMKEFEGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c18-13(16-12-4-2-1-3-5-12)15-8-11-17-9-6-14-7-10-17/h12,14H,1-11H2,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea?
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 254.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 4056008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).