[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone

C20H27FN2O2 — CID 131640166

IUPAC[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-6-4-17(5-7-18)19(24)23-9-1-8-20(14-23)13-22(10-11-25-15-20)12-16-2-3-16/h4-7,16H,1-3,8-15H2
InChIKeyGKBHLEQJIIVECJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.79
Rot. Bonds3

About [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone

[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone (PubChem CID 131640166) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone
PubChem CID131640166
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-6-4-17(5-7-18)19(24)23-9-1-8-20(14-23)13-22(10-11-25-15-20)12-16-2-3-16/h4-7,16H,1-3,8-15H2
InChIKeyGKBHLEQJIIVECJ-UHFFFAOYSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone (CID 131640166) is [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC2(COCCN(CC3CC3)C2)C1.
What is the InChIKey of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is GKBHLEQJIIVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-6-4-17(5-7-18)19(24)23-9-1-8-20(14-23)13-22(10-11-25-15-20)12-16-2-3-16/h4-7,16H,1-3,8-15H2.
What are the key properties of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone?
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 346.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 131640166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).