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

C23H36N4O2 — CID 86844281

IUPACN-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCCN1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-3-11-25-12-9-20(10-13-25)23(29)27-16-14-26(15-17-27)18-22(28)24-21-8-6-5-7-19(21)4-2/h5-8,20H,3-4,9-18H2,1-2H3,(H,24,28)
InChIKeyPOEBAOJLHYUXKE-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.45
Rot. Bonds7

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

N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 86844281) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID86844281
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCCN1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-3-11-25-12-9-20(10-13-25)23(29)27-16-14-26(15-17-27)18-22(28)24-21-8-6-5-7-19(21)4-2/h5-8,20H,3-4,9-18H2,1-2H3,(H,24,28)
InChIKeyPOEBAOJLHYUXKE-UHFFFAOYSA-N
XLogP2.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 31298051
2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 16605926
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
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
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
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
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
N-(2-ethylphenyl)-2-[4-[2-[(2-methylcyclohexyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112796606

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide (CID 86844281) is N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide is CCCN1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is POEBAOJLHYUXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-3-11-25-12-9-20(10-13-25)23(29)27-16-14-26(15-17-27)18-22(28)24-21-8-6-5-7-19(21)4-2/h5-8,20H,3-4,9-18H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86844281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).