ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate

C18H27N3O3 — CID 109020253

IUPACethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCNC(C)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-18(23)21-13-11-20(12-14-21)17(22)9-10-19-15(2)16-7-5-4-6-8-16/h4-8,15,19H,3,9-14H2,1-2H3
InChIKeyCFLPNHOLPXYWFO-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.03
Rot. Bonds6

About ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate (PubChem CID 109020253) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
PubChem CID109020253
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCNC(C)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-18(23)21-13-11-20(12-14-21)17(22)9-10-19-15(2)16-7-5-4-6-8-16/h4-8,15,19H,3,9-14H2,1-2H3
InChIKeyCFLPNHOLPXYWFO-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate (CID 109020253) is ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCNC(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate?
The InChIKey is CFLPNHOLPXYWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-24-18(23)21-13-11-20(12-14-21)17(22)9-10-19-15(2)16-7-5-4-6-8-16/h4-8,15,19H,3,9-14H2,1-2H3.
What are the key properties of ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 109020253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).