ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate

C24H31N3O3 — CID 78818038

IUPACethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c1-2-30-24(29)27-15-13-21(14-16-27)26-23(28)18-25-22(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-12,21-22,25H,2,13-18H2,1H3,(H,26,28)
InChIKeyVKKMSEVUAGRXNL-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.30
Rot. Bonds8

About ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate (PubChem CID 78818038) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate
PubChem CID78818038
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Nameethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c1-2-30-24(29)27-15-13-21(14-16-27)26-23(28)18-25-22(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-12,21-22,25H,2,13-18H2,1H3,(H,26,28)
InChIKeyVKKMSEVUAGRXNL-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 109003707
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ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220
ethyl 4-benzamidopiperidine-1-carboxylate
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CID 110766816
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[(N-benzyl-N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 111328198
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866073

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate (CID 78818038) is ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNC(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is VKKMSEVUAGRXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-2-30-24(29)27-15-13-21(14-16-27)26-23(28)18-25-22(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-12,21-22,25H,2,13-18H2,1H3,(H,26,28).
What are the key properties of ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 409.53 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 78818038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).