(5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide

C18H25FN2O — CID 98897057

IUPAC(5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCN(C)C(=O)[C@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2
InChIInChI=1S/C18H25FN2O/c1-20(2)17(22)15-7-5-9-18(15)10-11-21(13-18)12-14-6-3-4-8-16(14)19/h3-4,6,8,15H,5,7,9-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyVHQFZXJPOFUZNX-QAPCUYQASA-N
MW304.41 g/mol
LogP2.91
Rot. Bonds3

About (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide

(5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98897057) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98897057
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCN(C)C(=O)[C@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2
InChIInChI=1S/C18H25FN2O/c1-20(2)17(22)15-7-5-9-18(15)10-11-21(13-18)12-14-6-3-4-8-16(14)19/h3-4,6,8,15H,5,7,9-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyVHQFZXJPOFUZNX-QAPCUYQASA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
1-[(4S)-4-(cyclopropylmethoxymethyl)-8-[(2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124800995
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.4]heptane-2-carboxamide
CID 45213154
1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide
CID 127266063
(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510508
(2S)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447069
[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
CID 98896012
[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
CID 131640587
(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447065

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide (CID 98897057) is (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide is CN(C)C(=O)[C@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2.
What is the InChIKey of (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is VHQFZXJPOFUZNX-QAPCUYQASA-N. The full InChI is InChI=1S/C18H25FN2O/c1-20(2)17(22)15-7-5-9-18(15)10-11-21(13-18)12-14-6-3-4-8-16(14)19/h3-4,6,8,15H,5,7,9-13H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide?
(5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98897057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).