(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C16H22N4O2 — CID 97495317

IUPAC(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1cnc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cn1
InChIInChI=1S/C16H22N4O2/c1-12-9-18-13(10-17-12)15(22)20-8-4-7-16(11-20)6-3-5-14(21)19(16)2/h9-10H,3-8,11H2,1-2H3/t16-/m1/s1
InChIKeyUMWZVKXQGTYVKO-MRXNPFEDSA-N
MW302.38 g/mol
LogP1.40
Rot. Bonds1

About (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97495317) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97495317
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1cnc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cn1
InChIInChI=1S/C16H22N4O2/c1-12-9-18-13(10-17-12)15(22)20-8-4-7-16(11-20)6-3-5-14(21)19(16)2/h9-10H,3-8,11H2,1-2H3/t16-/m1/s1
InChIKeyUMWZVKXQGTYVKO-MRXNPFEDSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-methyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495342
(6S)-8-(5-methylpyrazine-2-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398639
(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495371
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495370
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155856612
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495441
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
(6S)-1-methyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495388
(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490391

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 97495317) is (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is Cc1cnc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cn1.
What is the InChIKey of (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is UMWZVKXQGTYVKO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-9-18-13(10-17-12)15(22)20-8-4-7-16(11-20)6-3-5-14(21)19(16)2/h9-10H,3-8,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97495317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).