3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea

C15H27N3O2 — CID 47240964

IUPAC3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
SMILESCC(=O)N1CCC(NC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)18-10-8-13(9-11-18)16-15(20)17(2)14-6-4-3-5-7-14/h13-14H,3-11H2,1-2H3,(H,16,20)
InChIKeyRLNGCVTXNXXECZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.97
Rot. Bonds2

About 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea

3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea (PubChem CID 47240964) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
PubChem CID47240964
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
SMILESCC(=O)N1CCC(NC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)18-10-8-13(9-11-18)16-15(20)17(2)14-6-4-3-5-7-14/h13-14H,3-11H2,1-2H3,(H,16,20)
InChIKeyRLNGCVTXNXXECZ-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
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1-cycloheptyl-3-(1,1-dioxothiolan-3-yl)-1-methylurea
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1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea (CID 47240964) is 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea is CC(=O)N1CCC(NC(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea?
The InChIKey is RLNGCVTXNXXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(19)18-10-8-13(9-11-18)16-15(20)17(2)14-6-4-3-5-7-14/h13-14H,3-11H2,1-2H3,(H,16,20).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea?
3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea has a molecular weight of 281.40 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea is sourced from PubChem (CID 47240964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).