(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one

C18H24FN3O — CID 97373562

IUPAC(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(CC1CC1)C2
InChIInChI=1S/C18H24FN3O/c1-20-11-17(23)22(16-4-2-3-15(19)9-16)13-18(20)7-8-21(12-18)10-14-5-6-14/h2-4,9,14H,5-8,10-13H2,1H3/t18-/m1/s1
InChIKeyXBWZRLRBHUMFIQ-GOSISDBHSA-N
MW317.41 g/mol
LogP1.96
Rot. Bonds3

About (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one

(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97373562) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID97373562
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(CC1CC1)C2
InChIInChI=1S/C18H24FN3O/c1-20-11-17(23)22(16-4-2-3-15(19)9-16)13-18(20)7-8-21(12-18)10-14-5-6-14/h2-4,9,14H,5-8,10-13H2,1H3/t18-/m1/s1
InChIKeyXBWZRLRBHUMFIQ-GOSISDBHSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373517
(5R)-9-(3-fluorophenyl)-2-(furan-3-ylmethyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373508
(5S)-9-(3-fluorophenyl)-6-methyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373509
2-(cyclopropylmethyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118746199
2-butylsulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642895
2-benzylsulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131647756
(5R)-9-(3-fluorophenyl)-6-methyl-2-(naphthalene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373560
9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131657226
9-(3-fluorophenyl)-2-(2-methoxyacetyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155854451
9-(3-fluorophenyl)-2-(5-fluoropyrimidin-2-yl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155857624
2-(3,4-difluorophenyl)sulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155843920
(5R)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373555

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 97373562) is (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(CC1CC1)C2.
What is the InChIKey of (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is XBWZRLRBHUMFIQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-20-11-17(23)22(16-4-2-3-15(19)9-16)13-18(20)7-8-21(12-18)10-14-5-6-14/h2-4,9,14H,5-8,10-13H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 317.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97373562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).