1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea

C16H29N3O2 — CID 110819357

IUPAC1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
SMILESCCCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-2-6-15(20)19-11-9-14(10-12-19)18-16(21)17-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H2,17,18,21)
InChIKeyMUEWRBSRQVOHCV-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.41
Rot. Bonds4

About 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea

1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea (PubChem CID 110819357) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
PubChem CID110819357
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
SMILESCCCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-2-6-15(20)19-11-9-14(10-12-19)18-16(21)17-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H2,17,18,21)
InChIKeyMUEWRBSRQVOHCV-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea
CID 71887066
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304288
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
1-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 86813571
1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
CID 119750507
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211

Frequently Asked Questions

What is the IUPAC name of 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea?
The IUPAC name of 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea (CID 110819357) is 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea is CCCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea?
The InChIKey is MUEWRBSRQVOHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-6-15(20)19-11-9-14(10-12-19)18-16(21)17-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea?
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea has a molecular weight of 295.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea is sourced from PubChem (CID 110819357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).