methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate

C14H26N2O3 — CID 94412446

IUPACmethyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-12(14(17)18-2)16-5-3-13(4-6-16)11-15-7-9-19-10-8-15/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyKYHWYZLPLWBQJF-LBPRGKRZSA-N
MW270.37 g/mol
LogP0.59
Rot. Bonds4

About methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate

methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate (PubChem CID 94412446) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate
PubChem CID94412446
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-12(14(17)18-2)16-5-3-13(4-6-16)11-15-7-9-19-10-8-15/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyKYHWYZLPLWBQJF-LBPRGKRZSA-N
XLogP0.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate (CID 94412446) is methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate is COC(=O)[C@H](C)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate?
The InChIKey is KYHWYZLPLWBQJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(14(17)18-2)16-5-3-13(4-6-16)11-15-7-9-19-10-8-15/h12-13H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate?
methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate has a molecular weight of 270.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 94412446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).