2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one

C23H36N2O3 — CID 26397249

IUPAC2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC[C@H](COc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C23H36N2O3/c1-3-21(4-2)23(26)25-11-5-6-20(17-25)18-28-22-9-7-19(8-10-22)16-24-12-14-27-15-13-24/h7-10,20-21H,3-6,11-18H2,1-2H3/t20-/m0/s1
InChIKeyHAHIFNSWRXGGKH-FQEVSTJZSA-N
MW388.55 g/mol
LogP3.57
Rot. Bonds8

About 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one

2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one (PubChem CID 26397249) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
PubChem CID26397249
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC[C@H](COc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C23H36N2O3/c1-3-21(4-2)23(26)25-11-5-6-20(17-25)18-28-22-9-7-19(8-10-22)16-24-12-14-27-15-13-24/h7-10,20-21H,3-6,11-18H2,1-2H3/t20-/m0/s1
InChIKeyHAHIFNSWRXGGKH-FQEVSTJZSA-N
XLogP3.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 29152498
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097768
ethyl 4-[[4-[[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321044
ethyl 4-[[4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321048
furan-2-yl-[3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45207969
furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42501418
4-ethyl-2-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]morpholine
CID 44581056
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 124594256
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one (CID 26397249) is 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC[C@H](COc2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one?
The InChIKey is HAHIFNSWRXGGKH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-3-21(4-2)23(26)25-11-5-6-20(17-25)18-28-22-9-7-19(8-10-22)16-24-12-14-27-15-13-24/h7-10,20-21H,3-6,11-18H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one?
2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one has a molecular weight of 388.55 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 26397249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).