N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide

C19H29N3O2 — CID 113118911

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
SMILESCCN1CCN(C(=O)CCN(C(C)=O)C(C)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-4-20-12-14-21(15-13-20)19(24)10-11-22(17(3)23)16(2)18-8-6-5-7-9-18/h5-9,16H,4,10-15H2,1-3H3
InChIKeyCYEMFMOSVJULLY-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.15
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide (PubChem CID 113118911) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
PubChem CID113118911
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
SMILESCCN1CCN(C(=O)CCN(C(C)=O)C(C)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-4-20-12-14-21(15-13-20)19(24)10-11-22(17(3)23)16(2)18-8-6-5-7-9-18/h5-9,16H,4,10-15H2,1-3H3
InChIKeyCYEMFMOSVJULLY-UHFFFAOYSA-N
XLogP2.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118954
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118944
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)nonanamide
CID 4310878
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
ethyl 1-[3-[2-methylpropanoyl(1-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42703172
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
1-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-3-(4-bromophenyl)-1-(1-phenylethyl)urea
CID 42699151
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide (CID 113118911) is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide is CCN1CCN(C(=O)CCN(C(C)=O)C(C)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The InChIKey is CYEMFMOSVJULLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-20-12-14-21(15-13-20)19(24)10-11-22(17(3)23)16(2)18-8-6-5-7-9-18/h5-9,16H,4,10-15H2,1-3H3.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113118911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).