2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid

C16H22N2O4 — CID 2826251

IUPAC2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O4/c19-15(11-22-12-16(20)21)17-14-6-8-18(9-7-14)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,19)(H,20,21)
InChIKeyXKAGNABWBRPPCT-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.87
Rot. Bonds7

About 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 2826251) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID2826251
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O4/c19-15(11-22-12-16(20)21)17-14-6-8-18(9-7-14)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,19)(H,20,21)
InChIKeyXKAGNABWBRPPCT-UHFFFAOYSA-N
XLogP0.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid (CID 2826251) is 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is XKAGNABWBRPPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15(11-22-12-16(20)21)17-14-6-8-18(9-7-14)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,19)(H,20,21).
What are the key properties of 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 306.36 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 2826251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).