ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate

C25H30ClNO4 — CID 57297693

IUPACethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)C1(O)CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C25H30ClNO4/c1-2-31-24(29)23(20-10-12-21(26)13-11-20)25(30)14-17-27(18-15-25)16-6-9-22(28)19-7-4-3-5-8-19/h3-5,7-8,10-13,23,30H,2,6,9,14-18H2,1H3
InChIKeyQNHWLSFRYMFGKC-UHFFFAOYSA-N
MW443.97 g/mol
LogP4.48
Rot. Bonds9

About ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate

ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate (PubChem CID 57297693) has the molecular formula C25H30ClNO4 and a molecular weight of 443.97 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate
PubChem CID57297693
Molecular FormulaC25H30ClNO4
Molecular Weight443.97 g/mol
Exact Mass443.19
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)C1(O)CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C25H30ClNO4/c1-2-31-24(29)23(20-10-12-21(26)13-11-20)25(30)14-17-27(18-15-25)16-6-9-22(28)19-7-4-3-5-8-19/h3-5,7-8,10-13,23,30H,2,6,9,14-18H2,1H3
InChIKeyQNHWLSFRYMFGKC-UHFFFAOYSA-N
XLogP4.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.97
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[1-(2-chloro-2-phenylethyl)-4-hydroxypiperidin-4-yl]-2-(4-methylphenyl)acetate
CID 57023331
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
ethyl 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoate
CID 54551430
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
3-(4-methylpiperazin-1-yl)propyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;dihydrochloride
CID 134119198
1-(4-chlorophenyl)-4-[4-(3,4-dichlorobenzoyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 21438409
4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]-1-phenylbutan-1-one
CID 15055881
2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 57153869
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
CID 11695630
1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one
CID 110398563
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] undecanoate;hydrochloride
CID 171380006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate (CID 57297693) is ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate is CCOC(=O)C(c1ccc(Cl)cc1)C1(O)CCN(CCCC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate?
The InChIKey is QNHWLSFRYMFGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClNO4/c1-2-31-24(29)23(20-10-12-21(26)13-11-20)25(30)14-17-27(18-15-25)16-6-9-22(28)19-7-4-3-5-8-19/h3-5,7-8,10-13,23,30H,2,6,9,14-18H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate?
ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate has a molecular weight of 443.97 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate is sourced from PubChem (CID 57297693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).