(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H29N5O2 — CID 95896292

IUPAC(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1[nH]cnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C18H29N5O2/c1-14-16(20-13-19-14)17(25)23-8-4-6-18(12-23)7-5-15(24)22(11-18)10-9-21(2)3/h13H,4-12H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyKRVFJPLDZUFLAM-GOSISDBHSA-N
MW347.46 g/mol
LogP1.12
Rot. Bonds4

About (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95896292) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95896292
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1[nH]cnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C18H29N5O2/c1-14-16(20-13-19-14)17(25)23-8-4-6-18(12-23)7-5-15(24)22(11-18)10-9-21(2)3/h13H,4-12H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyKRVFJPLDZUFLAM-GOSISDBHSA-N
XLogP1.12
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96578486
(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95869000
8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56914584
(6S)-8-[2-[2-(dimethylamino)ethyl]-5-methylpyrazole-3-carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95873836
(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872441
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122235
(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97127084
2-[2-(dimethylamino)ethyl]-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715455
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724925
2-[2-(dimethylamino)ethyl]-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70782576

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95896292) is (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1[nH]cnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1.
What is the InChIKey of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is KRVFJPLDZUFLAM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-16(20-13-19-14)17(25)23-8-4-6-18(12-23)7-5-15(24)22(11-18)10-9-21(2)3/h13H,4-12H2,1-3H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 347.46 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95896292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).