(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H21FN4O2 — CID 42529834

IUPAC(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cnc[nH]1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C19H21FN4O2/c20-15-4-2-14(3-5-15)11-23-8-1-6-19(18(23)26)7-9-24(12-19)17(25)16-10-21-13-22-16/h2-5,10,13H,1,6-9,11-12H2,(H,21,22)/t19-/m0/s1
InChIKeyJCJQOJIYHRQXON-IBGZPJMESA-N
MW356.40 g/mol
LogP2.20
Rot. Bonds3

About (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42529834) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42529834
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cnc[nH]1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C19H21FN4O2/c20-15-4-2-14(3-5-15)11-23-8-1-6-19(18(23)26)7-9-24(12-19)17(25)16-10-21-13-22-16/h2-5,10,13H,1,6-9,11-12H2,(H,21,22)/t19-/m0/s1
InChIKeyJCJQOJIYHRQXON-IBGZPJMESA-N
XLogP2.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126428798
(5S)-7-[(4-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95721661
7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243127
1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
CID 45251564
2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56905387
7-[(4-fluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119061583
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131641976
9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131685889
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233209
(5R)-2-(cyclobutanecarbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25283016
(5S)-2-(2-methylpropanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26412240

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42529834) is (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1cnc[nH]1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1.
What is the InChIKey of (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JCJQOJIYHRQXON-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-4-2-14(3-5-15)11-23-8-1-6-19(18(23)26)7-9-24(12-19)17(25)16-10-21-13-22-16/h2-5,10,13H,1,6-9,11-12H2,(H,21,22)/t19-/m0/s1.
What are the key properties of (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42529834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).