(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H24F2N2O — CID 97110619

IUPAC(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CC2)CCC[C@]12CCN(Cc1cc(F)ccc1F)C2
InChIInChI=1S/C19H24F2N2O/c20-16-4-5-17(21)15(10-16)12-22-9-7-19(13-22)6-1-8-23(18(19)24)11-14-2-3-14/h4-5,10,14H,1-3,6-9,11-13H2/t19-/m1/s1
InChIKeyUJLCETPVZKYFHE-LJQANCHMSA-N
MW334.41 g/mol
LogP3.19
Rot. Bonds4

About (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97110619) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97110619
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CC2)CCC[C@]12CCN(Cc1cc(F)ccc1F)C2
InChIInChI=1S/C19H24F2N2O/c20-16-4-5-17(21)15(10-16)12-22-9-7-19(13-22)6-1-8-23(18(19)24)11-14-2-3-14/h4-5,10,14H,1-3,6-9,11-13H2/t19-/m1/s1
InChIKeyUJLCETPVZKYFHE-LJQANCHMSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-2-[(2-chloro-4-fluorophenyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97145037
(5R)-2-[(2,5-difluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42377378
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
(5R)-7-(cyclopropylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26318692
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
7-(cyclopropylmethyl)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72891380
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510508

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97110619) is (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CC2)CCC[C@]12CCN(Cc1cc(F)ccc1F)C2.
What is the InChIKey of (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UJLCETPVZKYFHE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24F2N2O/c20-16-4-5-17(21)15(10-16)12-22-9-7-19(13-22)6-1-8-23(18(19)24)11-14-2-3-14/h4-5,10,14H,1-3,6-9,11-13H2/t19-/m1/s1.
What are the key properties of (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 334.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97110619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).