1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea

C20H33N3O2 — CID 56798806

IUPAC1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)C=C2CCCCC2)CC1
InChIInChI=1S/C20H33N3O2/c24-19(15-16-7-3-1-4-8-16)23-13-11-18(12-14-23)22-20(25)21-17-9-5-2-6-10-17/h15,17-18H,1-14H2,(H2,21,22,25)
InChIKeyAYBFVXAMGGJCFL-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.50
Rot. Bonds3

About 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea (PubChem CID 56798806) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea
PubChem CID56798806
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)C=C2CCCCC2)CC1
InChIInChI=1S/C20H33N3O2/c24-19(15-16-7-3-1-4-8-16)23-13-11-18(12-14-23)22-20(25)21-17-9-5-2-6-10-17/h15,17-18H,1-14H2,(H2,21,22,25)
InChIKeyAYBFVXAMGGJCFL-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 108924958
2-cyclobutylidene-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 130736284
1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone
CID 130663738
1-cyclododecyl-3-(cyclohexylidenemethyl)urea
CID 108912488
1-cyclododecyl-3-(cyclopentylidenemethyl)urea
CID 108913552
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclohexyl-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]urea
CID 119304273
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
[4-[[1-(2-cyclopentylideneacetyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930532
ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate
CID 108912633
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea (CID 56798806) is 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(C(=O)C=C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea?
The InChIKey is AYBFVXAMGGJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c24-19(15-16-7-3-1-4-8-16)23-13-11-18(12-14-23)22-20(25)21-17-9-5-2-6-10-17/h15,17-18H,1-14H2,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]urea is sourced from PubChem (CID 56798806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).