ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate

C19H29N3O3 — CID 109003707

IUPACethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNCCCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-2-25-19(24)22-13-10-17(11-14-22)21-18(23)15-20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,17,20H,2,6,9-15H2,1H3,(H,21,23)
InChIKeyOTLSKHAFTJQSLM-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.95
Rot. Bonds8

About ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate (PubChem CID 109003707) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
PubChem CID109003707
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNCCCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-2-25-19(24)22-13-10-17(11-14-22)21-18(23)15-20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,17,20H,2,6,9-15H2,1H3,(H,21,23)
InChIKeyOTLSKHAFTJQSLM-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate
CID 78818038
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
CID 110355792
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[[N'-[3-(2-phenylethoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111074326
ethyl 4-[3-(benzylamino)propyl]piperidine-1-carboxylate
CID 21241620
ethyl 4-[[N-ethyl-N'-[2-oxo-2-(2-phenylethylamino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328215
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate (CID 109003707) is ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNCCCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is OTLSKHAFTJQSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-25-19(24)22-13-10-17(11-14-22)21-18(23)15-20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,17,20H,2,6,9-15H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109003707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).