(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C18H22N4O — CID 124815931

IUPAC(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1ccnc1CN1C[C@H](c2ccccc2)[C@]2(CCNC2=O)C1
InChIInChI=1S/C18H22N4O/c1-21-10-9-19-16(21)12-22-11-15(14-5-3-2-4-6-14)18(13-22)7-8-20-17(18)23/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,20,23)/t15-,18+/m1/s1
InChIKeyHEJMDXPKGYRDCO-QAPCUYQASA-N
MW310.40 g/mol
LogP1.53
Rot. Bonds3

About (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124815931) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124815931
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1ccnc1CN1C[C@H](c2ccccc2)[C@]2(CCNC2=O)C1
InChIInChI=1S/C18H22N4O/c1-21-10-9-19-16(21)12-22-11-15(14-5-3-2-4-6-14)18(13-22)7-8-20-17(18)23/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,20,23)/t15-,18+/m1/s1
InChIKeyHEJMDXPKGYRDCO-QAPCUYQASA-N
XLogP1.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471851
9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131655738
1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131654285
(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97391603
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
3-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540408
1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine
CID 79744991
1'-[(1-methylimidazol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 97452734
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469969
1-[2-(1-methylimidazol-2-yl)ethyl]-3-phenyl-1,4-diazepane
CID 114532416
[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 126780167

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 124815931) is (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is Cn1ccnc1CN1C[C@H](c2ccccc2)[C@]2(CCNC2=O)C1.
What is the InChIKey of (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is HEJMDXPKGYRDCO-QAPCUYQASA-N. The full InChI is InChI=1S/C18H22N4O/c1-21-10-9-19-16(21)12-22-11-15(14-5-3-2-4-6-14)18(13-22)7-8-20-17(18)23/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,20,23)/t15-,18+/m1/s1.
What are the key properties of (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 310.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124815931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).