(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid

C18H23NO5 — CID 120684511

IUPAC(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1
InChIInChI=1S/C18H23NO5/c1-24-15-9-7-13(8-10-15)16(20)5-2-6-17(21)19-11-3-4-14(12-19)18(22)23/h7-10,14H,2-6,11-12H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyWHPSGDQLWYSSSQ-AWEZNQCLSA-N
MW333.38 g/mol
LogP2.37
Rot. Bonds7

About (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid

(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid (PubChem CID 120684511) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
PubChem CID120684511
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1
InChIInChI=1S/C18H23NO5/c1-24-15-9-7-13(8-10-15)16(20)5-2-6-17(21)19-11-3-4-14(12-19)18(22)23/h7-10,14H,2-6,11-12H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyWHPSGDQLWYSSSQ-AWEZNQCLSA-N
XLogP2.37
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904
1-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119415930
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 120684317
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920
1-[[1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 56508782
2-[5-(4-methoxyphenyl)-5-oxopentanoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120689229
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid (CID 120684511) is (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid is COc1ccc(C(=O)CCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1.
What is the InChIKey of (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid?
The InChIKey is WHPSGDQLWYSSSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO5/c1-24-15-9-7-13(8-10-15)16(20)5-2-6-17(21)19-11-3-4-14(12-19)18(22)23/h7-10,14H,2-6,11-12H2,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid?
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120684511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).