1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane

C18H25FN2O — CID 97396296

IUPAC1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESFc1ccc(N2CCC3(CC2)COCCN3CC2CC2)cc1
InChIInChI=1S/C18H25FN2O/c19-16-3-5-17(6-4-16)20-9-7-18(8-10-20)14-22-12-11-21(18)13-15-1-2-15/h3-6,15H,1-2,7-14H2
InChIKeyWQRADWWGPKKEFY-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.91
Rot. Bonds3

About 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396296) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396296
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESFc1ccc(N2CCC3(CC2)COCCN3CC2CC2)cc1
InChIInChI=1S/C18H25FN2O/c19-16-3-5-17(6-4-16)20-9-7-18(8-10-20)14-22-12-11-21(18)13-15-1-2-15/h3-6,15H,1-2,7-14H2
InChIKeyWQRADWWGPKKEFY-UHFFFAOYSA-N
XLogP2.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155838464
1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97372202
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
cyclopropyl-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97396364
4-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]benzonitrile
CID 97396283
1-(cyclopropylmethyl)-9-(thiophen-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155835236
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1H-indol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155849715
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
CID 118738843
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(4-fluorophenyl)methanone
CID 97451330
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 122139863
1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175216623

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396296) is 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane is Fc1ccc(N2CCC3(CC2)COCCN3CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is WQRADWWGPKKEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-3-5-17(6-4-16)20-9-7-18(8-10-20)14-22-12-11-21(18)13-15-1-2-15/h3-6,15H,1-2,7-14H2.
What are the key properties of 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 304.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).