11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane

C20H29FN2O — CID 134074120

IUPAC11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cccc(CN2CCCC3(COCCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C20H29FN2O/c21-19-4-1-3-18(11-19)13-22-8-2-7-20(14-22)15-23(9-10-24-16-20)12-17-5-6-17/h1,3-4,11,17H,2,5-10,12-16H2
InChIKeyHIFIDPVSQWGCFH-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.15
Rot. Bonds4

About 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane

11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 134074120) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID134074120
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cccc(CN2CCCC3(COCCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C20H29FN2O/c21-19-4-1-3-18(11-19)13-22-8-2-7-20(14-22)15-23(9-10-24-16-20)12-17-5-6-17/h1,3-4,11,17H,2,5-10,12-16H2
InChIKeyHIFIDPVSQWGCFH-UHFFFAOYSA-N
XLogP3.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

US10689398, Example 84
CID 129053873
US10689398, Example 85
CID 129070164
2-[(3-Fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118745930
8-(Cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746584
10-[(3-Fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746844
10-Benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746958
Sdccgsbi-0117052.P001
CID 42392899
((3S*,5R*)-1-(3,4-difluorobenzyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}piperidin-3-yl)methanol
CID 72855932
2-[(3-Fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 118745929
[11-(Cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-fluorophenyl)methanone
CID 131640166
4-[(4-Fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131642635
[11-(Cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872

Frequently Asked Questions

What is the IUPAC name of 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 134074120) is 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cccc(CN2CCCC3(COCCN(CC4CC4)C3)C2)c1.
What is the InChIKey of 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is HIFIDPVSQWGCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c21-19-4-1-3-18(11-19)13-22-8-2-7-20(14-22)15-23(9-10-24-16-20)12-17-5-6-17/h1,3-4,11,17H,2,5-10,12-16H2.
What are the key properties of 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 332.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(cyclopropylmethyl)-2-[(3-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134074120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).