1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone

C21H30N2O2 — CID 118745266

IUPAC1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C21H30N2O2/c24-20(13-18-5-2-1-3-6-18)23-10-4-9-21(16-23)15-22(11-12-25-17-21)14-19-7-8-19/h1-3,5-6,19H,4,7-17H2
InChIKeyZIVOKYVJXHCLKQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.58
Rot. Bonds4

About 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone

1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone (PubChem CID 118745266) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone
PubChem CID118745266
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C21H30N2O2/c24-20(13-18-5-2-1-3-6-18)23-10-4-9-21(16-23)15-22(11-12-25-17-21)14-19-7-8-19/h1-3,5-6,19H,4,7-17H2
InChIKeyZIVOKYVJXHCLKQ-UHFFFAOYSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-Diphenylcyclopropyl)(morpholin-4-yl)methanone
CID 661533
1-(1,4-Oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
CID 92634114
1-[1-(Cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone
CID 97409228
1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472389
1-[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472407
1-[(5aR,9aS)-4-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-phenylethanone
CID 97511354
1-[(5aR,9aS)-4-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-(3-fluorophenyl)ethanone
CID 97511355
1-[(5aR,9aS)-4-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-(4-fluorophenyl)ethanone
CID 97511367
(11-Ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone
CID 118742411
(2-Fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 118745323
1-[11-[2-(Dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone
CID 118746075
[11-[2-(Dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone
CID 118746082

Frequently Asked Questions

What is the IUPAC name of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone?
The IUPAC name of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone (CID 118745266) is 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC2(COCCN(CC3CC3)C2)C1.
What is the InChIKey of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone?
The InChIKey is ZIVOKYVJXHCLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(13-18-5-2-1-3-6-18)23-10-4-9-21(16-23)15-22(11-12-25-17-21)14-19-7-8-19/h1-3,5-6,19H,4,7-17H2.
What are the key properties of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone?
1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone has a molecular weight of 342.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-phenylethanone is sourced from PubChem (CID 118745266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).