1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea

C18H33N3O2 — CID 71678007

IUPAC1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
SMILESCCC(C)C(=O)N1CCC(NC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-3-14(2)17(22)21-12-10-16(11-13-21)20-18(23)19-15-8-6-4-5-7-9-15/h14-16H,3-13H2,1-2H3,(H2,19,20,23)
InChIKeyKIFXYZAYVCHLJB-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.05
Rot. Bonds4

About 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea

1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea (PubChem CID 71678007) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
PubChem CID71678007
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
SMILESCCC(C)C(=O)N1CCC(NC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-3-14(2)17(22)21-12-10-16(11-13-21)20-18(23)19-15-8-6-4-5-7-9-15/h14-16H,3-13H2,1-2H3,(H2,19,20,23)
InChIKeyKIFXYZAYVCHLJB-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea (CID 71678007) is 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea is CCC(C)C(=O)N1CCC(NC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
The InChIKey is KIFXYZAYVCHLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-14(2)17(22)21-12-10-16(11-13-21)20-18(23)19-15-8-6-4-5-7-9-15/h14-16H,3-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea has a molecular weight of 323.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 71678007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).