(3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C16H23N5O2 — CID 124971366

IUPAC(3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)CN)CC2)C[C@H]1Cc1cnccn1
InChIInChI=1S/C16H23N5O2/c1-20-13(8-12-11-18-4-5-19-12)9-16(15(20)23)2-6-21(7-3-16)14(22)10-17/h4-5,11,13H,2-3,6-10,17H2,1H3/t13-/m1/s1
InChIKeyJWAQEHJDXDLEPQ-CYBMUJFWSA-N
MW317.39 g/mol
LogP-0.18
Rot. Bonds3

About (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

(3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 124971366) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID124971366
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)CN)CC2)C[C@H]1Cc1cnccn1
InChIInChI=1S/C16H23N5O2/c1-20-13(8-12-11-18-4-5-19-12)9-16(15(20)23)2-6-21(7-3-16)14(22)10-17/h4-5,11,13H,2-3,6-10,17H2,1H3/t13-/m1/s1
InChIKeyJWAQEHJDXDLEPQ-CYBMUJFWSA-N
XLogP-0.18
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-hydroxyacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 110138237
2-amino-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 135098549
(3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 124968480
(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124955540
3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 110138708
2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860043
3-amino-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 135100420
(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 124993642
3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 175659156
pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124978485
2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 67480242
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 125015393

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 124971366) is (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCN(C(=O)CN)CC2)C[C@H]1Cc1cnccn1.
What is the InChIKey of (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JWAQEHJDXDLEPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-20-13(8-12-11-18-4-5-19-12)9-16(15(20)23)2-6-21(7-3-16)14(22)10-17/h4-5,11,13H,2-3,6-10,17H2,1H3/t13-/m1/s1.
What are the key properties of (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
(3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 317.39 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(2-aminoacetyl)-2-methyl-3-(pyrazin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 124971366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).