2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid

C20H32N2O2 — CID 122043248

IUPAC2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(CCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O2/c1-4-22(15-20(23)24)19-10-13-21(14-11-19)12-9-17-5-7-18(8-6-17)16(2)3/h5-8,16,19H,4,9-15H2,1-3H3,(H,23,24)
InChIKeyUDJNSPJFLGEHJP-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.22
Rot. Bonds8

About 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122043248) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid
PubChem CID122043248
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(CCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O2/c1-4-22(15-20(23)24)19-10-13-21(14-11-19)12-9-17-5-7-18(8-6-17)16(2)3/h5-8,16,19H,4,9-15H2,1-3H3,(H,23,24)
InChIKeyUDJNSPJFLGEHJP-UHFFFAOYSA-N
XLogP3.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[1-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122008493
2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
CID 122043222
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid
CID 122046852
2-[ethyl-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122043129
2-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043247
2-[[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043079
2-[ethyl-[1-[[2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043097
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
4-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 91648682
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid (CID 122043248) is 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(CCc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is UDJNSPJFLGEHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-22(15-20(23)24)19-10-13-21(14-11-19)12-9-17-5-7-18(8-6-17)16(2)3/h5-8,16,19H,4,9-15H2,1-3H3,(H,23,24).
What are the key properties of 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 332.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122043248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).