1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride

C14H27ClN4O2 — CID 119473062

IUPAC1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
SMILESCC1CNCCN1C(=O)CNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-11-9-15-7-8-18(11)13(19)10-16-14(20)17-12-5-3-2-4-6-12;/h11-12,15H,2-10H2,1H3,(H2,16,17,20);1H
InChIKeyGYRDPYHWINKDRE-UHFFFAOYSA-N
MW318.85 g/mol
LogP0.86
Rot. Bonds3

About 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride

1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride (PubChem CID 119473062) has the molecular formula C14H27ClN4O2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
PubChem CID119473062
Molecular FormulaC14H27ClN4O2
Molecular Weight318.85 g/mol
Exact Mass318.18
IUPAC Name1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
SMILESCC1CNCCN1C(=O)CNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-11-9-15-7-8-18(11)13(19)10-16-14(20)17-12-5-3-2-4-6-12;/h11-12,15H,2-10H2,1H3,(H2,16,17,20);1H
InChIKeyGYRDPYHWINKDRE-UHFFFAOYSA-N
XLogP0.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea
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1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 120659500
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1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-cyclohexylurea
CID 94825981

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride?
The IUPAC name of 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride (CID 119473062) is 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride is CC1CNCCN1C(=O)CNC(=O)NC1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride?
The InChIKey is GYRDPYHWINKDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.ClH/c1-11-9-15-7-8-18(11)13(19)10-16-14(20)17-12-5-3-2-4-6-12;/h11-12,15H,2-10H2,1H3,(H2,16,17,20);1H.
What are the key properties of 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride?
1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride is sourced from PubChem (CID 119473062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).