2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid

C15H26N2O3 — CID 62689102

IUPAC2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
SMILESCC1CCCN(C(=O)CN2CCCC(CC(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-12-4-2-7-17(9-12)14(18)11-16-6-3-5-13(10-16)8-15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyPYVMZPGVJGYZTL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.43
Rot. Bonds4

About 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid

2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid (PubChem CID 62689102) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
PubChem CID62689102
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
SMILESCC1CCCN(C(=O)CN2CCCC(CC(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-12-4-2-7-17(9-12)14(18)11-16-6-3-5-13(10-16)8-15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyPYVMZPGVJGYZTL-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324601
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid (CID 62689102) is 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid is CC1CCCN(C(=O)CN2CCCC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid?
The InChIKey is PYVMZPGVJGYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12-4-2-7-17(9-12)14(18)11-16-6-3-5-13(10-16)8-15(19)20/h12-13H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid?
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).