(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H26N4O2 — CID 97122794

IUPAC(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1ccccc1
InChIInChI=1S/C21H26N4O2/c26-18-7-10-21(15-24(18)14-8-17-5-2-1-3-6-17)9-4-13-25(16-21)20(27)19-22-11-12-23-19/h1-3,5-6,11-12H,4,7-10,13-16H2,(H,22,23)/t21-/m1/s1
InChIKeyQVLBNGHZWYHIDN-OAQYLSRUSA-N
MW366.46 g/mol
LogP2.50
Rot. Bonds4

About (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97122794) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97122794
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1ccccc1
InChIInChI=1S/C21H26N4O2/c26-18-7-10-21(15-24(18)14-8-17-5-2-1-3-6-17)9-4-13-25(16-21)20(27)19-22-11-12-23-19/h1-3,5-6,11-12H,4,7-10,13-16H2,(H,22,23)/t21-/m1/s1
InChIKeyQVLBNGHZWYHIDN-OAQYLSRUSA-N
XLogP2.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96574038
(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97127084
2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
CID 97279265
2-(2-hydroxyethyl)-8-(1H-1,2,4-triazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72895472
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96581260
8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72900123
(6S)-8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97137769
8-(2-methylpyrimidine-5-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72860660
8-cyclopentyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70707226
8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72848388
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740637

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97122794) is (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1ccccc1.
What is the InChIKey of (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QVLBNGHZWYHIDN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-18-7-10-21(15-24(18)14-8-17-5-2-1-3-6-17)9-4-13-25(16-21)20(27)19-22-11-12-23-19/h1-3,5-6,11-12H,4,7-10,13-16H2,(H,22,23)/t21-/m1/s1.
What are the key properties of (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97122794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).