1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea

C18H32N4O3 — CID 18160039

IUPAC1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea
SMILESCC(C)C(=O)N1CCN(C(=O)CCNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-14(2)17(24)22-12-10-21(11-13-22)16(23)8-9-19-18(25)20-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H2,19,20,25)
InChIKeyVPIOEAGTCCIDSC-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.34
Rot. Bonds5

About 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea

1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea (PubChem CID 18160039) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea
PubChem CID18160039
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea
SMILESCC(C)C(=O)N1CCN(C(=O)CCNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-14(2)17(24)22-12-10-21(11-13-22)16(23)8-9-19-18(25)20-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H2,19,20,25)
InChIKeyVPIOEAGTCCIDSC-UHFFFAOYSA-N
XLogP1.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea (CID 18160039) is 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea is CC(C)C(=O)N1CCN(C(=O)CCNC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea?
The InChIKey is VPIOEAGTCCIDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-14(2)17(24)22-12-10-21(11-13-22)16(23)8-9-19-18(25)20-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H2,19,20,25).
What are the key properties of 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea?
1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea has a molecular weight of 352.48 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 18160039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).