ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate

C17H24N2O3 — CID 24149

IUPACethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(N)=O)CC1
InChIInChI=1S/C17H24N2O3/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-19(13-10-17)11-8-15(18)20/h3-7H,2,8-13H2,1H3,(H2,18,20)
InChIKeyIXZCNCWEDOHVLK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.46
Rot. Bonds6

About ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate

ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 24149) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate
PubChem CID24149
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(N)=O)CC1
InChIInChI=1S/C17H24N2O3/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-19(13-10-17)11-8-15(18)20/h3-7H,2,8-13H2,1H3,(H2,18,20)
InChIKeyIXZCNCWEDOHVLK-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate (CID 24149) is ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCC(N)=O)CC1.
What is the InChIKey of ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is IXZCNCWEDOHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-19(13-10-17)11-8-15(18)20/h3-7H,2,8-13H2,1H3,(H2,18,20).
What are the key properties of ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate?
ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 24149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).