(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone

C19H26N2O3 — CID 94750035

IUPAC(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
SMILESO=C([C@H](c1ccccc1)N1CCCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H26N2O3/c22-18(21-12-8-19(9-13-21)23-14-15-24-19)17(20-10-4-5-11-20)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2/t17-/m0/s1
InChIKeyWZIHHQFFSLJDMS-KRWDZBQOSA-N
MW330.43 g/mol
LogP2.19
Rot. Bonds3

About (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone

(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone (PubChem CID 94750035) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
PubChem CID94750035
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
SMILESO=C([C@H](c1ccccc1)N1CCCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H26N2O3/c22-18(21-12-8-19(9-13-21)23-14-15-24-19)17(20-10-4-5-11-20)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2/t17-/m0/s1
InChIKeyWZIHHQFFSLJDMS-KRWDZBQOSA-N
XLogP2.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 71845070
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
(2R)-N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide
CID 94778881
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The IUPAC name of (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone (CID 94750035) is (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The canonical SMILES for (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone is O=C([C@H](c1ccccc1)N1CCCC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The InChIKey is WZIHHQFFSLJDMS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(21-12-8-19(9-13-21)23-14-15-24-19)17(20-10-4-5-11-20)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2/t17-/m0/s1.
What are the key properties of (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone has a molecular weight of 330.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 94750035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).