(6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H27N5O3 — CID 95862519

IUPAC(6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C17H27N5O3/c1-20(2)8-9-21-11-17(6-4-14(21)23)5-3-7-22(12-17)15(24)13-10-18-16(25)19-13/h10H,3-9,11-12H2,1-2H3,(H2,18,19,25)/t17-/m1/s1
InChIKeyUSQNWLVVUGWCNB-QGZVFWFLSA-N
MW349.44 g/mol
LogP0.11
Rot. Bonds4

About (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95862519) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95862519
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C17H27N5O3/c1-20(2)8-9-21-11-17(6-4-14(21)23)5-3-7-22(12-17)15(24)13-10-18-16(25)19-13/h10H,3-9,11-12H2,1-2H3,(H2,18,19,25)/t17-/m1/s1
InChIKeyUSQNWLVVUGWCNB-QGZVFWFLSA-N
XLogP0.11
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95862519) is (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CN(C)CCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O.
What is the InChIKey of (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is USQNWLVVUGWCNB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20(2)8-9-21-11-17(6-4-14(21)23)5-3-7-22(12-17)15(24)13-10-18-16(25)19-13/h10H,3-9,11-12H2,1-2H3,(H2,18,19,25)/t17-/m1/s1.
What are the key properties of (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 349.44 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95862519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).