[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone

C21H30N2O3 — CID 124990656

IUPAC[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H30N2O3/c24-19(21(8-4-5-9-21)18-6-2-1-3-7-18)23-11-10-20(25,17-23)16-22-12-14-26-15-13-22/h1-3,6-7,25H,4-5,8-17H2/t20-/m0/s1
InChIKeyPDGNPEKVYJSVDU-FQEVSTJZSA-N
MW358.48 g/mol
LogP1.79
Rot. Bonds4

About [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone

[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 124990656) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
PubChem CID124990656
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H30N2O3/c24-19(21(8-4-5-9-21)18-6-2-1-3-7-18)23-11-10-20(25,17-23)16-22-12-14-26-15-13-22/h1-3,6-7,25H,4-5,8-17H2/t20-/m0/s1
InChIKeyPDGNPEKVYJSVDU-FQEVSTJZSA-N
XLogP1.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Doxapram
CID 3156
Dextromoramide
CID 92943
Doxapram Hydrochloride
CID 64648
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
Dopram
CID 64647
Racemoramide
CID 9648
Morsuximide
CID 71165
Desmethylmoramide
CID 206005
4-(2,2-Diphenylpropanoyl)morpholine
CID 889990
N-(3-morpholin-4-ylpropyl)-1-phenylcyclopentane-1-carboxamide
CID 1826015
(S)-doxapram
CID 28248394
US11807646, Example 40
CID 139370527

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone (CID 124990656) is [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone is O=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2)CCCC1.
What is the InChIKey of [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is PDGNPEKVYJSVDU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-19(21(8-4-5-9-21)18-6-2-1-3-7-18)23-11-10-20(25,17-23)16-22-12-14-26-15-13-22/h1-3,6-7,25H,4-5,8-17H2/t20-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 358.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 124990656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).