2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C22H32N4O3 — CID 9022433

IUPAC2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C22H32N4O3/c1-3-18-6-4-5-7-20(18)23-21(28)16-24-12-14-26(15-13-24)22(29)19-8-10-25(11-9-19)17(2)27/h4-7,19H,3,8-16H2,1-2H3,(H,23,28)
InChIKeyYWGPXPKUGUMZDB-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 9022433) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID9022433
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C22H32N4O3/c1-3-18-6-4-5-7-20(18)23-21(28)16-24-12-14-26(15-13-24)22(29)19-8-10-25(11-9-19)17(2)27/h4-7,19H,3,8-16H2,1-2H3,(H,23,28)
InChIKeyYWGPXPKUGUMZDB-UHFFFAOYSA-N
XLogP1.59
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 86844281
2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 31298051
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 16605926
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 17395764
2-[4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8795277
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9372273
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55501528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 9022433) is 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is YWGPXPKUGUMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-3-18-6-4-5-7-20(18)23-21(28)16-24-12-14-26(15-13-24)22(29)19-8-10-25(11-9-19)17(2)27/h4-7,19H,3,8-16H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 9022433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).