8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C19H27FN2O2 — CID 118746584

IUPAC8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESFc1cccc(CN2CCOC3(COCCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C19H27FN2O2/c20-18-3-1-2-17(10-18)12-22-7-9-24-19(14-22)13-21(6-8-23-15-19)11-16-4-5-16/h1-3,10,16H,4-9,11-15H2
InChIKeyMSSPMTNVUWTXEP-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.14
Rot. Bonds4

About 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 118746584) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID118746584
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESFc1cccc(CN2CCOC3(COCCN(CC4CC4)C3)C2)c1
InChIInChI=1S/C19H27FN2O2/c20-18-3-1-2-17(10-18)12-22-7-9-24-19(14-22)13-21(6-8-23-15-19)11-16-4-5-16/h1-3,10,16H,4-9,11-15H2
InChIKeyMSSPMTNVUWTXEP-UHFFFAOYSA-N
XLogP2.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

US10689398, Example 84
CID 129053873
US10689398, Example 82
CID 129069867
US10689398, Example 85
CID 129070164
6-({[1-(3,5-Difluorobenzyl)piperidin-4-yl]amino}methyl)-1,4-oxazepan-6-ol
CID 70735132
4-[(4-Fluorophenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118743606
2-[(3-Fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118745930
Sdccgsbi-0117052.P001
CID 42392899
4-[(2-Fluorophenyl)methyl]-2-(morpholin-4-ylmethyl)morpholine
CID 46041221
4-[[1-[(3-Fluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 47053719
(5aS,8aS)-7-[(2-fluorophenyl)methyl]-4-(2-methoxyethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420204
8-(Cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 118746583
(6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol
CID 129487982

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 118746584) is 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Fc1cccc(CN2CCOC3(COCCN(CC4CC4)C3)C2)c1.
What is the InChIKey of 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is MSSPMTNVUWTXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-18-3-1-2-17(10-18)12-22-7-9-24-19(14-22)13-21(6-8-23-15-19)11-16-4-5-16/h1-3,10,16H,4-9,11-15H2.
What are the key properties of 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 334.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118746584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).