2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide

C21H34N4O2 — CID 8563436

IUPAC2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide
SMILESCCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1ccccc1
InChIInChI=1S/C21H34N4O2/c1-5-23(15-18-9-7-6-8-10-18)17-20(27)25-13-11-24(12-14-25)16-19(26)22-21(2,3)4/h6-10H,5,11-17H2,1-4H3,(H,22,26)
InChIKeyQOEVLUKACSDRJG-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.57
Rot. Bonds7

About 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide

2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide (PubChem CID 8563436) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide
PubChem CID8563436
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide
SMILESCCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1ccccc1
InChIInChI=1S/C21H34N4O2/c1-5-23(15-18-9-7-6-8-10-18)17-20(27)25-13-11-24(12-14-25)16-19(26)22-21(2,3)4/h6-10H,5,11-17H2,1-4H3,(H,22,26)
InChIKeyQOEVLUKACSDRJG-UHFFFAOYSA-N
XLogP1.57
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 60503858
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
2-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108998886
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylquinoline-2-carboxamide
CID 9475158
4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78819158
N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide
CID 24576501
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide (CID 8563436) is 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide is CCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1ccccc1.
What is the InChIKey of 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide?
The InChIKey is QOEVLUKACSDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-5-23(15-18-9-7-6-8-10-18)17-20(27)25-13-11-24(12-14-25)16-19(26)22-21(2,3)4/h6-10H,5,11-17H2,1-4H3,(H,22,26).
What are the key properties of 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide?
2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide has a molecular weight of 374.53 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 8563436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).