N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide

C27H34N2O3 — CID 11669235

IUPACN-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NC1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C27H34N2O3/c30-25(22-8-3-1-4-9-22)12-7-13-26(31)28-24-14-16-27(17-15-24,23-10-5-2-6-11-23)29-18-20-32-21-19-29/h1-6,8-11,24H,7,12-21H2,(H,28,31)
InChIKeyZBJAOVVQERVCQF-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.33
Rot. Bonds8

About N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide

N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide (PubChem CID 11669235) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide
PubChem CID11669235
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC NameN-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NC1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C27H34N2O3/c30-25(22-8-3-1-4-9-22)12-7-13-26(31)28-24-14-16-27(17-15-24,23-10-5-2-6-11-23)29-18-20-32-21-19-29/h1-6,8-11,24H,7,12-21H2,(H,28,31)
InChIKeyZBJAOVVQERVCQF-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(oxolan-3-yl)-5-phenylpentanamide
CID 86287240
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 11575960
benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate
CID 110637877
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
4-morpholin-4-yl-4-phenyl-N-propylpiperidine-1-carboxamide
CID 110637882
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154
4-morpholin-4-yl-N,4-diphenylpiperidine-1-carboxamide
CID 110409254
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide
CID 70745414
N'-(4-benzyl-4-morpholin-4-ylcyclohexyl)-N-[(3-methylphenyl)methyl]butanediamide
CID 66621495
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide (CID 11669235) is N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)NC1CCC(c2ccccc2)(N2CCOCC2)CC1.
What is the InChIKey of N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide?
The InChIKey is ZBJAOVVQERVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c30-25(22-8-3-1-4-9-22)12-7-13-26(31)28-24-14-16-27(17-15-24,23-10-5-2-6-11-23)29-18-20-32-21-19-29/h1-6,8-11,24H,7,12-21H2,(H,28,31).
What are the key properties of N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide?
N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide has a molecular weight of 434.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-4-phenylcyclohexyl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 11669235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).