ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate

C28H41NO3 — CID 160928471

IUPACethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate
SMILESCC.CC.CC(=O)CCCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H29NO3.2C2H6/c1-19(26)8-7-15-25-16-13-22(14-17-25)28-24(27)18-21-11-5-6-12-23(21)20-9-3-2-4-10-20;2*1-2/h2-6,9-12,22H,7-8,13-18H2,1H3;2*1-2H3
InChIKeySSYGORCGQBLEPM-UHFFFAOYSA-N
MW439.64 g/mol
LogP6.33
Rot. Bonds8

About ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate

ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate (PubChem CID 160928471) has the molecular formula C28H41NO3 and a molecular weight of 439.64 g/mol. Its IUPAC name is ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate.

Molecular Properties

Compound Nameethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate
PubChem CID160928471
Molecular FormulaC28H41NO3
Molecular Weight439.64 g/mol
Exact Mass439.31
IUPAC Nameethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate
SMILESCC.CC.CC(=O)CCCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H29NO3.2C2H6/c1-19(26)8-7-15-25-16-13-22(14-17-25)28-24(27)18-21-11-5-6-12-23(21)20-9-3-2-4-10-20;2*1-2/h2-6,9-12,22H,7-8,13-18H2,1H3;2*1-2H3
InChIKeySSYGORCGQBLEPM-UHFFFAOYSA-N
XLogP6.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.64
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate
CID 59600654
[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 58514272
1-[[4-[methyl-[2-[4-[2-(2-phenylphenyl)acetyl]oxypiperidin-1-yl]ethyl]carbamoyl]phenyl]methyl]piperidine-4-carboxylic acid
CID 58201590
[1-[2-[methyl-[6-[N-methyl-4-[2-[methyl-[3-[methyl(propanoyl)amino]propyl]amino]-2-oxoethyl]anilino]hexanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 161033179
[1-[2-[7-[4-[4-[(2-methoxyacetyl)-methylamino]butyl-methylcarbamoyl]phenyl]heptanoyl-methylamino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 159239128
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
CID 174486907
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113

Frequently Asked Questions

What is the IUPAC name of ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate?
The IUPAC name of ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate (CID 160928471) is ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate.
What is the SMILES notation for ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate?
The canonical SMILES for ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate is CC.CC.CC(=O)CCCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate?
The InChIKey is SSYGORCGQBLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3.2C2H6/c1-19(26)8-7-15-25-16-13-22(14-17-25)28-24(27)18-21-11-5-6-12-23(21)20-9-3-2-4-10-20;2*1-2/h2-6,9-12,22H,7-8,13-18H2,1H3;2*1-2H3.
What are the key properties of ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate?
ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate has a molecular weight of 439.64 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate is sourced from PubChem (CID 160928471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).