(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C20H22N4O2 — CID 97469506

IUPAC(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C20H22N4O2/c1-23-18(25)16(15-5-3-2-4-6-15)13-20(23)7-11-24(12-8-20)19(26)17-14-21-9-10-22-17/h2-6,9-10,14,16H,7-8,11-13H2,1H3/t16-/m0/s1
InChIKeyBQYXSSJGPMNZFH-INIZCTEOSA-N
MW350.42 g/mol
LogP2.10
Rot. Bonds2

About (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469506) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469506
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C20H22N4O2/c1-23-18(25)16(15-5-3-2-4-6-15)13-20(23)7-11-24(12-8-20)19(26)17-14-21-9-10-22-17/h2-6,9-10,14,16H,7-8,11-13H2,1H3/t16-/m0/s1
InChIKeyBQYXSSJGPMNZFH-INIZCTEOSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97204970
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
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CID 97469573
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469570
1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118739746
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470051
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97469506) is (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1cnccn1)CC2.
What is the InChIKey of (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BQYXSSJGPMNZFH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-18(25)16(15-5-3-2-4-6-15)13-20(23)7-11-24(12-8-20)19(26)17-14-21-9-10-22-17/h2-6,9-10,14,16H,7-8,11-13H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).