ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate

C19H27N3O5 — CID 74778132

IUPACethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)C1CC(COc2ccccc2)NN1
InChIInChI=1S/C19H27N3O5/c1-2-26-18(23)11-15-13-25-9-8-22(15)19(24)17-10-14(20-21-17)12-27-16-6-4-3-5-7-16/h3-7,14-15,17,20-21H,2,8-13H2,1H3
InChIKeyZZYIPNPUGCXGPQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP0.48
Rot. Bonds7

About ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate

ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate (PubChem CID 74778132) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate
PubChem CID74778132
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nameethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)C1CC(COc2ccccc2)NN1
InChIInChI=1S/C19H27N3O5/c1-2-26-18(23)11-15-13-25-9-8-22(15)19(24)17-10-14(20-21-17)12-27-16-6-4-3-5-7-16/h3-7,14-15,17,20-21H,2,8-13H2,1H3
InChIKeyZZYIPNPUGCXGPQ-UHFFFAOYSA-N
XLogP0.48
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
CID 45178950
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
4-ethyl-3-(phenoxymethyl)morpholine
CID 140776542
[(2S)-2,3-dihydro-1H-indol-2-yl]-(3-ethylmorpholin-4-yl)methanone
CID 61155795
ethyl 2-[(3S)-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]acetate
CID 25367233
ethyl 2-[4-(3-methylimidazole-4-carbonyl)morpholin-3-yl]acetate;2,2,2-trifluoroacetic acid
CID 154888697
ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
CID 46994260
2,3,5-trimethyl-6-[[4-(2-phenoxyacetyl)morpholin-3-yl]methyl]cyclohexa-2,5-diene-1,4-dione
CID 139821813
2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356029
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate (CID 74778132) is ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1C(=O)C1CC(COc2ccccc2)NN1.
What is the InChIKey of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
The InChIKey is ZZYIPNPUGCXGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-2-26-18(23)11-15-13-25-9-8-22(15)19(24)17-10-14(20-21-17)12-27-16-6-4-3-5-7-16/h3-7,14-15,17,20-21H,2,8-13H2,1H3.
What are the key properties of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate has a molecular weight of 377.44 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate is sourced from PubChem (CID 74778132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).