1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

C20H26N2O4 — CID 95897711

IUPAC1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C)n1
InChIInChI=1S/C20H26N2O4/c1-14-7-8-17(15(2)21-14)26-20(19(24)25)9-11-22(12-10-20)18(23)13-16-5-3-4-6-16/h3,5,7-8,16H,4,6,9-13H2,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyLMKJMQGRNALTNM-INIZCTEOSA-N
MW358.44 g/mol
LogP2.88
Rot. Bonds5

About 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 95897711) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID95897711
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C)n1
InChIInChI=1S/C20H26N2O4/c1-14-7-8-17(15(2)21-14)26-20(19(24)25)9-11-22(12-10-20)18(23)13-16-5-3-4-6-16/h3,5,7-8,16H,4,6,9-13H2,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyLMKJMQGRNALTNM-INIZCTEOSA-N
XLogP2.88
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56893025
3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323252
2-cyclopent-2-en-1-yl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727159
4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid
CID 95882475
1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95882974
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 92617091
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 9151317
2-cyclopent-2-en-1-yl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 17480622
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92598280

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 95897711) is 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C)n1.
What is the InChIKey of 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is LMKJMQGRNALTNM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-7-8-17(15(2)21-14)26-20(19(24)25)9-11-22(12-10-20)18(23)13-16-5-3-4-6-16/h3,5,7-8,16H,4,6,9-13H2,1-2H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 95897711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).