methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate

C20H30N2O3 — CID 23723362

IUPACmethyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-21(15-13-17-8-4-3-5-9-17)18-10-7-14-22(16-18)19(23)11-6-12-20(24)25-2/h3-5,8-9,18H,6-7,10-16H2,1-2H3
InChIKeySBLABTDONFDNLJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.50
Rot. Bonds8

About methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate

methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate (PubChem CID 23723362) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate
PubChem CID23723362
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namemethyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-21(15-13-17-8-4-3-5-9-17)18-10-7-14-22(16-18)19(23)11-6-12-20(24)25-2/h3-5,8-9,18H,6-7,10-16H2,1-2H3
InChIKeySBLABTDONFDNLJ-UHFFFAOYSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate (CID 23723362) is methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CCCC(N(C)CCc2ccccc2)C1.
What is the InChIKey of methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate?
The InChIKey is SBLABTDONFDNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(15-13-17-8-4-3-5-9-17)18-10-7-14-22(16-18)19(23)11-6-12-20(24)25-2/h3-5,8-9,18H,6-7,10-16H2,1-2H3.
What are the key properties of methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate?
methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate has a molecular weight of 346.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 23723362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).