(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C18H25FN2O — CID 97370894

IUPAC(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)CC[C@@]12CCCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H25FN2O/c1-2-21-17(22)8-10-18(21)9-3-12-20(13-11-18)14-15-4-6-16(19)7-5-15/h4-7H,2-3,8-14H2,1H3/t18-/m1/s1
InChIKeyWBJJLSPIWNQYGC-GOSISDBHSA-N
MW304.41 g/mol
LogP3.19
Rot. Bonds3

About (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97370894) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97370894
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)CC[C@@]12CCCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H25FN2O/c1-2-21-17(22)8-10-18(21)9-3-12-20(13-11-18)14-15-4-6-16(19)7-5-15/h4-7H,2-3,8-14H2,1H3/t18-/m1/s1
InChIKeyWBJJLSPIWNQYGC-GOSISDBHSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 134076658
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681081
(5R)-1-ethyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370892
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid
CID 155864802
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681380
1-(2-methylsulfonylethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682387

Frequently Asked Questions

What is the IUPAC name of (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 97370894) is (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is WBJJLSPIWNQYGC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-2-21-17(22)8-10-18(21)9-3-12-20(13-11-18)14-15-4-6-16(19)7-5-15/h4-7H,2-3,8-14H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 304.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97370894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).