ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate

C17H29N3O4 — CID 113116368

IUPACethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C(C)=O)C2CCCC2)CC1
InChIInChI=1S/C17H29N3O4/c1-3-24-17(23)19-12-10-18(11-13-19)16(22)8-9-20(14(2)21)15-6-4-5-7-15/h15H,3-13H2,1-2H3
InChIKeyIBRBPRSFMUMXNB-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.47
Rot. Bonds5

About ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate

ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate (PubChem CID 113116368) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate
PubChem CID113116368
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCN(C(C)=O)C2CCCC2)CC1
InChIInChI=1S/C17H29N3O4/c1-3-24-17(23)19-12-10-18(11-13-19)16(22)8-9-20(14(2)21)15-6-4-5-7-15/h15H,3-13H2,1-2H3
InChIKeyIBRBPRSFMUMXNB-UHFFFAOYSA-N
XLogP1.47
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate (CID 113116368) is ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCN(C(C)=O)C2CCCC2)CC1.
What is the InChIKey of ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate?
The InChIKey is IBRBPRSFMUMXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-3-24-17(23)19-12-10-18(11-13-19)16(22)8-9-20(14(2)21)15-6-4-5-7-15/h15H,3-13H2,1-2H3.
What are the key properties of ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[acetyl(cyclopentyl)amino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 113116368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).