1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea

C17H31N3O2 — CID 141119386

IUPAC1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea
SMILESCCCC(=O)N1CCC(N(C(N)=O)C2CCC(C)CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-4-16(21)19-11-9-15(10-12-19)20(17(18)22)14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3,(H2,18,22)
InChIKeyVLTUCDOWMUROTH-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.74
Rot. Bonds4

About 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea

1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea (PubChem CID 141119386) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea
PubChem CID141119386
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea
SMILESCCCC(=O)N1CCC(N(C(N)=O)C2CCC(C)CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-4-16(21)19-11-9-15(10-12-19)20(17(18)22)14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3,(H2,18,22)
InChIKeyVLTUCDOWMUROTH-UHFFFAOYSA-N
XLogP2.74
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea?
The IUPAC name of 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea (CID 141119386) is 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea is CCCC(=O)N1CCC(N(C(N)=O)C2CCC(C)CC2)CC1.
What is the InChIKey of 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea?
The InChIKey is VLTUCDOWMUROTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-4-16(21)19-11-9-15(10-12-19)20(17(18)22)14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3,(H2,18,22).
What are the key properties of 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea?
1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea has a molecular weight of 309.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea is sourced from PubChem (CID 141119386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).