2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid

C20H29NO4 — CID 119177809

IUPAC2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C20H29NO4/c1-14(25-17-7-5-16(6-8-17)20(2,3)4)19(24)21-11-9-15(10-12-21)13-18(22)23/h5-8,14-15H,9-13H2,1-4H3,(H,22,23)
InChIKeyMGDOGFADRDWEIE-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.46
Rot. Bonds5

About 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid

2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid (PubChem CID 119177809) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
PubChem CID119177809
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C20H29NO4/c1-14(25-17-7-5-16(6-8-17)20(2,3)4)19(24)21-11-9-15(10-12-21)13-18(22)23/h5-8,14-15H,9-13H2,1-4H3,(H,22,23)
InChIKeyMGDOGFADRDWEIE-UHFFFAOYSA-N
XLogP3.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
(2R)-2-(4-tert-butylphenoxy)-1-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213552
(2S)-2-(4-tert-butylphenoxy)-1-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213549
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655152
2-(4-tert-butylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395820
2-(4-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 53150906
2-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178706
(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 6554590
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid (CID 119177809) is 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is MGDOGFADRDWEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(25-17-7-5-16(6-8-17)20(2,3)4)19(24)21-11-9-15(10-12-21)13-18(22)23/h5-8,14-15H,9-13H2,1-4H3,(H,22,23).
What are the key properties of 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid?
2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 347.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119177809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).