1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride

C18H33ClN4O3 — CID 6602643

IUPAC1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride
SMILESCl.O=C(NC1CCCCC1)NC1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3.ClH/c23-17(22-10-12-25-13-11-22)14-21-8-6-16(7-9-21)20-18(24)19-15-4-2-1-3-5-15;/h15-16H,1-14H2,(H2,19,20,24);1H
InChIKeyXSYUPSCDGBAKFM-UHFFFAOYSA-N
MW388.94 g/mol
LogP1.36
Rot. Bonds4

About 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride

1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride (PubChem CID 6602643) has the molecular formula C18H33ClN4O3 and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride
PubChem CID6602643
Molecular FormulaC18H33ClN4O3
Molecular Weight388.94 g/mol
Exact Mass388.22
IUPAC Name1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride
SMILESCl.O=C(NC1CCCCC1)NC1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3.ClH/c23-17(22-10-12-25-13-11-22)14-21-8-6-16(7-9-21)20-18(24)19-15-4-2-1-3-5-15;/h15-16H,1-14H2,(H2,19,20,24);1H
InChIKeyXSYUPSCDGBAKFM-UHFFFAOYSA-N
XLogP1.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride?
The IUPAC name of 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride (CID 6602643) is 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride is Cl.O=C(NC1CCCCC1)NC1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride?
The InChIKey is XSYUPSCDGBAKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3.ClH/c23-17(22-10-12-25-13-11-22)14-21-8-6-16(7-9-21)20-18(24)19-15-4-2-1-3-5-15;/h15-16H,1-14H2,(H2,19,20,24);1H.
What are the key properties of 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride?
1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea;hydrochloride is sourced from PubChem (CID 6602643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).