[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone

C15H18Cl2N2O3 — CID 124697933

IUPAC[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone
SMILESO=C([C@@H]1COCCN1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O3/c16-12-2-1-10(7-13(12)17)22-11-3-5-19(8-11)15(20)14-9-21-6-4-18-14/h1-2,7,11,14,18H,3-6,8-9H2/t11-,14-/m0/s1
InChIKeyHNXGXYVKVMWFLC-FZMZJTMJSA-N
MW345.23 g/mol
LogP1.96
Rot. Bonds3

About [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone

[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone (PubChem CID 124697933) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone
PubChem CID124697933
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone
SMILESO=C([C@@H]1COCCN1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O3/c16-12-2-1-10(7-13(12)17)22-11-3-5-19(8-11)15(20)14-9-21-6-4-18-14/h1-2,7,11,14,18H,3-6,8-9H2/t11-,14-/m0/s1
InChIKeyHNXGXYVKVMWFLC-FZMZJTMJSA-N
XLogP1.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119341914
[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125135306
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
CID 119815606
2-amino-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796027
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341932
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone?
The IUPAC name of [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone (CID 124697933) is [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone.
What is the SMILES notation for [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone?
The canonical SMILES for [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone is O=C([C@@H]1COCCN1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone?
The InChIKey is HNXGXYVKVMWFLC-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-12-2-1-10(7-13(12)17)22-11-3-5-19(8-11)15(20)14-9-21-6-4-18-14/h1-2,7,11,14,18H,3-6,8-9H2/t11-,14-/m0/s1.
What are the key properties of [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone?
[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone has a molecular weight of 345.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone is sourced from PubChem (CID 124697933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).