1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea

C22H33N3O2 — CID 12940306

IUPAC1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c26-21(18-8-3-1-4-9-18)12-7-15-25-16-13-20(14-17-25)24-22(27)23-19-10-5-2-6-11-19/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H2,23,24,27)
InChIKeyOFSIHDMMHPHBSI-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.75
Rot. Bonds7

About 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea (PubChem CID 12940306) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
PubChem CID12940306
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c26-21(18-8-3-1-4-9-18)12-7-15-25-16-13-20(14-17-25)24-22(27)23-19-10-5-2-6-11-19/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H2,23,24,27)
InChIKeyOFSIHDMMHPHBSI-UHFFFAOYSA-N
XLogP3.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20969095
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4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
CID 110398502
1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
CID 111496272
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide
CID 154338396
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
N-[(1-phenacylpiperidin-4-yl)carbamoyl]benzamide
CID 12608588
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea
CID 26434990
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea (CID 12940306) is 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(CCCC(=O)c2ccccc2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea?
The InChIKey is OFSIHDMMHPHBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21(18-8-3-1-4-9-18)12-7-15-25-16-13-20(14-17-25)24-22(27)23-19-10-5-2-6-11-19/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H2,23,24,27).
What are the key properties of 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea has a molecular weight of 371.53 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea is sourced from PubChem (CID 12940306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).