1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid

C18H32N4O4 — CID 120679249

IUPAC1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C18H32N4O4/c1-18(2,3)19-15(23)12-20-7-9-22(10-8-20)16(24)13-21-6-4-5-14(11-21)17(25)26/h14H,4-13H2,1-3H3,(H,19,23)(H,25,26)
InChIKeyGQHUBQDCAHWZKZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.16
Rot. Bonds5

About 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid

1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 120679249) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID120679249
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C18H32N4O4/c1-18(2,3)19-15(23)12-20-7-9-22(10-8-20)16(24)13-21-6-4-5-14(11-21)17(25)26/h14H,4-13H2,1-3H3,(H,19,23)(H,25,26)
InChIKeyGQHUBQDCAHWZKZ-UHFFFAOYSA-N
XLogP-0.16
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908851
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
N-tert-butyl-2-[4-[2-(4-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 26518929
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
2-[4-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide
CID 98684839
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid (CID 120679249) is 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid is CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is GQHUBQDCAHWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-18(2,3)19-15(23)12-20-7-9-22(10-8-20)16(24)13-21-6-4-5-14(11-21)17(25)26/h14H,4-13H2,1-3H3,(H,19,23)(H,25,26).
What are the key properties of 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid?
1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 368.48 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120679249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).