2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid

C14H25N3O3 — CID 61243166

IUPAC2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-15(11-13(18)19)14(20)17-9-5-12(6-10-17)16-7-3-2-4-8-16/h12H,2-11H2,1H3,(H,18,19)
InChIKeyZMXBXJHFHZGICV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds3

About 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid

2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 61243166) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID61243166
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-15(11-13(18)19)14(20)17-9-5-12(6-10-17)16-7-3-2-4-8-16/h12H,2-11H2,1H3,(H,18,19)
InChIKeyZMXBXJHFHZGICV-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
CID 62369979
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid
CID 79170563
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 103497901
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid (CID 61243166) is 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is ZMXBXJHFHZGICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15(11-13(18)19)14(20)17-9-5-12(6-10-17)16-7-3-2-4-8-16/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid?
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 61243166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).