5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid

C18H26N2O4 — CID 2051092

IUPAC5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid
SMILESCOc1ccc([C@H](C)N2CCN(C(=O)CCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O4/c1-14(15-6-8-16(24-2)9-7-15)19-10-12-20(13-11-19)17(21)4-3-5-18(22)23/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyDGGQKFHZEIMOLF-AWEZNQCLSA-N
MW334.42 g/mol
LogP2.16
Rot. Bonds7

About 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid

5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 2051092) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid
PubChem CID2051092
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid
SMILESCOc1ccc([C@H](C)N2CCN(C(=O)CCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O4/c1-14(15-6-8-16(24-2)9-7-15)19-10-12-20(13-11-19)17(21)4-3-5-18(22)23/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyDGGQKFHZEIMOLF-AWEZNQCLSA-N
XLogP2.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid
CID 2051143
4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide
CID 4740634
4-[4-[1-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771200
2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 4740636
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119894437
7-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]heptan-1-one
CID 119894426
3-(4-hydroxyphenoxy)-1-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 4740707
(2S)-2-(4-chlorophenyl)-2-[4-[4-(4-methoxyphenoxy)butanoyl]piperazin-1-yl]acetamide
CID 26002524
3-(2-hydroxyphenoxy)-1-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 4740705
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
3-(3,4-dimethoxyphenyl)-1-[4-(1-phenylethyl)piperazin-1-yl]propan-1-one
CID 113074012
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81368251

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid (CID 2051092) is 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid is COc1ccc([C@H](C)N2CCN(C(=O)CCCC(=O)O)CC2)cc1.
What is the InChIKey of 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is DGGQKFHZEIMOLF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14(15-6-8-16(24-2)9-7-15)19-10-12-20(13-11-19)17(21)4-3-5-18(22)23/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid?
5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 334.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 2051092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).