5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid

C17H24N2O4 — CID 131939316

IUPAC5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
SMILESCN1CCC(Oc2ccc(NC(=O)CCCC(=O)O)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)18-16(20)3-2-4-17(21)22/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyKZKSMSPSKKFLJF-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.35
Rot. Bonds7

About 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid

5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid (PubChem CID 131939316) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
PubChem CID131939316
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
SMILESCN1CCC(Oc2ccc(NC(=O)CCCC(=O)O)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)18-16(20)3-2-4-17(21)22/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyKZKSMSPSKKFLJF-UHFFFAOYSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
4-(2-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100627533
4-(2-methoxy-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100758557
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 131934663
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 131905975
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131901818
bis(3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide);3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanoic acid;4-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 160658026

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid (CID 131939316) is 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid is CN1CCC(Oc2ccc(NC(=O)CCCC(=O)O)cc2)CC1.
What is the InChIKey of 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid?
The InChIKey is KZKSMSPSKKFLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)18-16(20)3-2-4-17(21)22/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid?
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid is sourced from PubChem (CID 131939316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).