1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid

C13H23N3O3 — CID 43385889

IUPAC1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCN1CCN(C(=O)CN2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-14-5-7-16(8-6-14)12(17)10-15-4-2-3-11(9-15)13(18)19/h11H,2-10H2,1H3,(H,18,19)
InChIKeyVFKXNTZCKWXURZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.44
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 43385889) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID43385889
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCN1CCN(C(=O)CN2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-14-5-7-16(8-6-14)12(17)10-15-4-2-3-11(9-15)13(18)19/h11H,2-10H2,1H3,(H,18,19)
InChIKeyVFKXNTZCKWXURZ-UHFFFAOYSA-N
XLogP-0.44
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 62545473
1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
CID 120679249
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 55064854
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid (CID 43385889) is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid is CN1CCN(C(=O)CN2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is VFKXNTZCKWXURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14-5-7-16(8-6-14)12(17)10-15-4-2-3-11(9-15)13(18)19/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43385889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).