(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane

C23H29FN2O — CID 42593843

IUPAC(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)cc1
InChIInChI=1S/C23H29FN2O/c1-27-21-9-7-19(8-10-21)15-26-14-12-23(18-26)11-4-13-25(17-23)16-20-5-2-3-6-22(20)24/h2-3,5-10H,4,11-18H2,1H3/t23-/m0/s1
InChIKeyTYWABVNURZWTPH-QHCPKHFHSA-N
MW368.50 g/mol
LogP4.32
Rot. Bonds5

About (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane

(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 42593843) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID42593843
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)cc1
InChIInChI=1S/C23H29FN2O/c1-27-21-9-7-19(8-10-21)15-26-14-12-23(18-26)11-4-13-25(17-23)16-20-5-2-3-6-22(20)24/h2-3,5-10H,4,11-18H2,1H3/t23-/m0/s1
InChIKeyTYWABVNURZWTPH-QHCPKHFHSA-N
XLogP4.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 56710646
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 118745159
(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
CID 42461609
7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45230882
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629
2-(1,4-dithiepan-6-yl)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 45213747
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
[5-[(2-fluorophenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone
CID 110067275
2-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449653
9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 70751244

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (CID 42593843) is (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane is COc1ccc(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)cc1.
What is the InChIKey of (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is TYWABVNURZWTPH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-27-21-9-7-19(8-10-21)15-26-14-12-23(18-26)11-4-13-25(17-23)16-20-5-2-3-6-22(20)24/h2-3,5-10H,4,11-18H2,1H3/t23-/m0/s1.
What are the key properties of (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 368.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 42593843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).