3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea

C17H31N3O2 — CID 108563875

IUPAC3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-19(4-2)17(22)18-15-10-12-20(13-11-15)16(21)14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,18,22)
InChIKeyLFJXGOCZVUQTBQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.61
Rot. Bonds4

About 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea

3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea (PubChem CID 108563875) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
PubChem CID108563875
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-19(4-2)17(22)18-15-10-12-20(13-11-15)16(21)14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,18,22)
InChIKeyLFJXGOCZVUQTBQ-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bucolome
CID 2461
N~1~-cyclohexyl-1,3-piperidinedicarboxamide
CID 2947158
1-Cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678007
1-(4-Ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 118712048
1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 3222855
1-(1-Acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea
CID 53317890
1-Cyclohexyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678006
N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexanecarboxamide
CID 845135
N-(piperidin-4-yl)cyclohexanecarboxamide
CID 1445167
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-cyclohexylmethyl-amide
CID 648462
Cyclohexanecarboxylic acid (1-ethylthiocarbamoyl-piperidin-4-yl)-amide
CID 3218522
Cyclohexanecarboxylic acid (1-propylthiocarbamoyl-piperidin-4-yl)-amide
CID 3218764

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea?
The IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea (CID 108563875) is 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea.
What is the SMILES notation for 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea?
The canonical SMILES for 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea is CCN(CC)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea?
The InChIKey is LFJXGOCZVUQTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-19(4-2)17(22)18-15-10-12-20(13-11-15)16(21)14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,18,22).
What are the key properties of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea?
3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea has a molecular weight of 309.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea is sourced from PubChem (CID 108563875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).