4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide

C13H26N4O2 — CID 112723929

IUPAC4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-5-14-12(19)17-8-6-16(7-9-17)11(18)10-15-13(2,3)4/h15H,5-10H2,1-4H3,(H,14,19)
InChIKeyZKKDOUGZYIALIF-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.25
Rot. Bonds3

About 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide

4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 112723929) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
PubChem CID112723929
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-5-14-12(19)17-8-6-16(7-9-17)11(18)10-15-13(2,3)4/h15H,5-10H2,1-4H3,(H,14,19)
InChIKeyZKKDOUGZYIALIF-UHFFFAOYSA-N
XLogP0.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 78928308
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 119695739
2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 115888267
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
N,4-diethylpiperazine-1-carboxamide
CID 22309084
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 112723927
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide (CID 112723929) is 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)CNC(C)(C)C)CC1.
What is the InChIKey of 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is ZKKDOUGZYIALIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-5-14-12(19)17-8-6-16(7-9-17)11(18)10-15-13(2,3)4/h15H,5-10H2,1-4H3,(H,14,19).
What are the key properties of 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide?
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 112723929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).