ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate

C17H32N2O3 — CID 52870602

IUPACethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C17H32N2O3/c1-5-21-17(20)15(4)19-8-6-16(7-9-19)12-18-10-13(2)22-14(3)11-18/h13-16H,5-12H2,1-4H3/t13-,14+,15-/m0/s1
InChIKeyRHBZCJUYFHCDHW-ZNMIVQPWSA-N
MW312.45 g/mol
LogP1.76
Rot. Bonds5

About ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate

ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate (PubChem CID 52870602) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
PubChem CID52870602
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nameethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C17H32N2O3/c1-5-21-17(20)15(4)19-8-6-16(7-9-19)12-18-10-13(2)22-14(3)11-18/h13-16H,5-12H2,1-4H3/t13-,14+,15-/m0/s1
InChIKeyRHBZCJUYFHCDHW-ZNMIVQPWSA-N
XLogP1.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate with MolForge

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Related Compounds

3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503447
(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 99810648
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 86889608
ethyl 2-(3-aminoazetidin-1-yl)propanoate
CID 65249905
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
3-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294892
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294893
3-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294891
(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
CID 119867461
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate?
The IUPAC name of ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate (CID 52870602) is ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate?
The canonical SMILES for ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate is CCOC(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate?
The InChIKey is RHBZCJUYFHCDHW-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-21-17(20)15(4)19-8-6-16(7-9-19)12-18-10-13(2)22-14(3)11-18/h13-16H,5-12H2,1-4H3/t13-,14+,15-/m0/s1.
What are the key properties of ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate?
ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate has a molecular weight of 312.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 52870602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).