9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane

C20H28F2N2O — CID 45250023

IUPAC9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
SMILESFC(F)Oc1ccc(CN2CCC3(CCCN(CC4CC4)C3)C2)cc1
InChIInChI=1S/C20H28F2N2O/c21-19(22)25-18-6-4-17(5-7-18)13-24-11-9-20(15-24)8-1-10-23(14-20)12-16-2-3-16/h4-7,16,19H,1-3,8-15H2
InChIKeyYBIIRSGAHDBHMB-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.99
Rot. Bonds6

About 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45250023) has the molecular formula C20H28F2N2O and a molecular weight of 350.45 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45250023
Molecular FormulaC20H28F2N2O
Molecular Weight350.45 g/mol
Exact Mass350.22
IUPAC Name9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
SMILESFC(F)Oc1ccc(CN2CCC3(CCCN(CC4CC4)C3)C2)cc1
InChIInChI=1S/C20H28F2N2O/c21-19(22)25-18-6-4-17(5-7-18)13-24-11-9-20(15-24)8-1-10-23(14-20)12-16-2-3-16/h4-7,16,19H,1-3,8-15H2
InChIKeyYBIIRSGAHDBHMB-UHFFFAOYSA-N
XLogP3.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(cyclopropylmethyl)-2-[[2-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45218460
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol
CID 45176513
9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
(9aS)-2-[[4-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839933
9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45221415
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155847570
(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 42593843
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 55030271
(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 126425953
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 118745159

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane (CID 45250023) is 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane is FC(F)Oc1ccc(CN2CCC3(CCCN(CC4CC4)C3)C2)cc1.
What is the InChIKey of 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is YBIIRSGAHDBHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O/c21-19(22)25-18-6-4-17(5-7-18)13-24-11-9-20(15-24)8-1-10-23(14-20)12-16-2-3-16/h4-7,16,19H,1-3,8-15H2.
What are the key properties of 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 350.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45250023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).