2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid

C20H29NO4 — CID 119178451

IUPAC2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(C)c(OCCCCC(=O)N2CCC(CC(=O)O)CC2)c1
InChIInChI=1S/C20H29NO4/c1-15-6-7-16(2)18(13-15)25-12-4-3-5-19(22)21-10-8-17(9-11-21)14-20(23)24/h6-7,13,17H,3-5,8-12,14H2,1-2H3,(H,23,24)
InChIKeyHIWJDEJFHOJPIO-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.57
Rot. Bonds8

About 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid

2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid (PubChem CID 119178451) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
PubChem CID119178451
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(C)c(OCCCCC(=O)N2CCC(CC(=O)O)CC2)c1
InChIInChI=1S/C20H29NO4/c1-15-6-7-16(2)18(13-15)25-12-4-3-5-19(22)21-10-8-17(9-11-21)14-20(23)24/h6-7,13,17H,3-5,8-12,14H2,1-2H3,(H,23,24)
InChIKeyHIWJDEJFHOJPIO-UHFFFAOYSA-N
XLogP3.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975
2-[4-[5-(2,5-dimethylphenoxy)pentanoyl]thiomorpholin-3-yl]acetic acid
CID 119210682
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 119662802
5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 52859774
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 124593638
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(2,5-dimethylphenoxy)pentan-1-one
CID 47721238
6-(2,5-dimethylphenoxy)-2-oxohexanoic acid
CID 57182380
3-(2,5-dimethylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80702990
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
CID 47723201

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid (CID 119178451) is 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid is Cc1ccc(C)c(OCCCCC(=O)N2CCC(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid?
The InChIKey is HIWJDEJFHOJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15-6-7-16(2)18(13-15)25-12-4-3-5-19(22)21-10-8-17(9-11-21)14-20(23)24/h6-7,13,17H,3-5,8-12,14H2,1-2H3,(H,23,24).
What are the key properties of 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid?
2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid has a molecular weight of 347.45 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).