ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate

C20H29N3O4 — CID 113125387

IUPACethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-17-6-8-18(9-7-17)23(16(3)24)11-10-19(25)21-12-14-22(15-13-21)20(26)27-5-2/h6-9H,4-5,10-15H2,1-3H3
InChIKeyUBPCZEDSDQQPTC-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.29
Rot. Bonds6

About ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate (PubChem CID 113125387) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
PubChem CID113125387
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nameethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-17-6-8-18(9-7-17)23(16(3)24)11-10-19(25)21-12-14-22(15-13-21)20(26)27-5-2/h6-9H,4-5,10-15H2,1-3H3
InChIKeyUBPCZEDSDQQPTC-UHFFFAOYSA-N
XLogP2.29
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 113125386
N-(4-ethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113125340
ethyl 4-[3-(N-acetyl-3-methylanilino)propanoyl]piperazine-1-carboxylate
CID 113123786
N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113125379
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
ethyl 4-[2-(N-acetyl-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113167712
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129834
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129381
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate (CID 113125387) is ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(CC)cc2)CC1.
What is the InChIKey of ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate?
The InChIKey is UBPCZEDSDQQPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-17-6-8-18(9-7-17)23(16(3)24)11-10-19(25)21-12-14-22(15-13-21)20(26)27-5-2/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 113125387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).